API tools faq
paste
Advertisement
mahmoodn

vasp-showme

mahmoodn
Nov 14th, 2016
460
0
Never
Add comment
Not a member of Pastebin yet? Sign Up, it unlocks many cool features!
text 136.72 KB | None | 0 0
raw download clone embed print report
  1. Script started on ‫دوشنبه ۱۴ نوامبر ۱۶، ۲۲:۳۸:۲۵‬
  2. ]0;root@vb: /opt/vasp.5.3.2root@vb:/opt/vasp.5.3.2# make
  3. cpp -free base.F base.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  4. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c base.f90
  5. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c base.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  6. cpp -free mpi.F mpi.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  7. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c mpi.f90
  8. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c mpi.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  9. cpp -free smart_allocate.F smart_allocate.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  10. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c smart_allocate.f90
  11. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c smart_allocate.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  12. cpp -free xml.F xml.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  13. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c xml.f90
  14. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c xml.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  15. cpp -free constant.F constant.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  16. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c constant.f90
  17. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c constant.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  18. cpp -free jacobi.F jacobi.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  19. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c jacobi.f90
  20. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c jacobi.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  21. cpp -free main_mpi.F main_mpi.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  22. main_mpi.F:280:28: warning: missing terminating ' character
  23. ! try to go to subdir INCAR's for the rest
  24. ^
  25. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c main_mpi.f90
  26. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c main_mpi.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  27. cpp -free scala.F scala.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  28. scala.F:112:52: warning: missing terminating ' character
  29. LOGICAL, PUBLIC :: LELPA = .TRUE. ! can't use ELPA
  30. ^
  31. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c scala.f90
  32. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c scala.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  33. cpp -free asa.F asa.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  34. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c asa.f90
  35. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c asa.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  36. cpp -free lattice.F lattice.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  37. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c lattice.f90
  38. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c lattice.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  39. cpp -free poscar.F poscar.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  40. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c poscar.f90
  41. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c poscar.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  42. cpp -free ini.F ini.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  43. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c ini.f90
  44. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c ini.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  45. cpp -free mgrid.F mgrid.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  46. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c mgrid.f90
  47. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c mgrid.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  48. cpp -free xclib.F xclib.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  49. xclib.F:1415:40: warning: missing terminating ' character
  50. ! are downloaded from Paola Gori-Giorgi's webpage
  51. ^
  52. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c xclib.f90
  53. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c xclib.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  54. cpp -free vdw_nl.F vdw_nl.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  55. vdw_nl.F:13:14: warning: missing terminating ' character
  56. !!! G. Rom\'{a}n-P\'{e}rez and J. Soler, Phys. Rev. Lett. 103, 096102 (2009)
  57. ^
  58. vdw_nl.F:117:25: warning: missing terminating ' character
  59. !don't touch this one yet
  60. ^
  61. vdw_nl.F:308:11: warning: missing terminating ' character
  62. !R-P&S' equation No 4 or so
  63. ^
  64. vdw_nl.F:331:9: warning: missing terminating ' character
  65. !don't go over the max
  66. ^
  67. vdw_nl.F:337:50: warning: missing terminating ' character
  68. !if d1 or d2 are 0 then the thing doesn't work,
  69. ^
  70. vdw_nl.F:342:66: warning: missing terminating ' character
  71. !and presumably not cutting the thing off will help? we'll see...
  72. ^
  73. vdw_nl.F:495:8: warning: missing terminating ' character
  74. !we'll call GET_KER_VAL(d1,d2) to get the phi(d1,d2) value
  75. ^
  76. vdw_nl.F:734:40: warning: missing terminating ' character
  77. !this can be loop over half but I'm tired
  78. ^
  79. vdw_nl.F:955:25: warning: missing terminating ' character
  80. !don't touch this one yet
  81. ^
  82. vdw_nl.F:1061:55: warning: missing terminating ' character
  83. !for each interpolating point create p_\alpha (Soler's paper)
  84. ^
  85. vdw_nl.F:1100:24: warning: missing terminating ' character
  86. !I really don't like the if here
  87. ^
  88. vdw_nl.F:1234:36: warning: missing terminating ' character
  89. ! number of grid points since we've done FFT, and factors to get eV
  90. ^
  91. vdw_nl.F:1237:43: warning: missing terminating ' character
  92. !we divide by (M)PLWV only once since it's done in xcgrad for the second time
  93. ^
  94. vdw_nl.F:1325:25: warning: missing terminating ' character
  95. !don't touch this one yet
  96. ^
  97. vdw_nl.F:1454:24: warning: missing terminating ' character
  98. !I really don't like the if here
  99. ^
  100. vdw_nl.F:1588:63: warning: missing terminating ' character
  101. !compared to vander, we divide by (M)PLWV only once since it's done in xcgrad for the second time
  102. ^
  103. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c vdw_nl.f90
  104. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c vdw_nl.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  105. cpp -free xclib_grad.F xclib_grad.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  106. xclib_grad.F:92:28: warning: missing terminating ' character
  107. ! Iann Gerber's functionals
  108. ^
  109. xclib_grad.F:111:28: warning: missing terminating ' character
  110. ! Iann Gerber's functionals
  111. ^
  112. xclib_grad.F:239:28: warning: missing terminating ' character
  113. ! Iann Gerber's functionals
  114. ^
  115. xclib_grad.F:258:28: warning: missing terminating ' character
  116. ! Iann Gerber's functionals
  117. ^
  118. xclib_grad.F:935:26: warning: missing terminating ' character
  119. ! 0 = don't calculate derivatives
  120. ^
  121. xclib_grad.F:954:3: warning: missing terminating " character
  122. ! "R. Armiento and A. E. Mattsson, PRB 72, 085108 (2005);
  123. ^
  124. xclib_grad.F:955:58: warning: missing terminating " character
  125. ! A. E. Mattsson and R. Armiento, PRB 79, 155101 (2009)."
  126. ^
  127. xclib_grad.F:1520:28: warning: missing terminating ' character
  128. ! Iann Gerber's functionals
  129. ^
  130. xclib_grad.F:1548:28: warning: missing terminating ' character
  131. ! Iann Gerber's functionals
  132. ^
  133. xclib_grad.F:1722:14: warning: missing terminating ' character
  134. ! Iann Gerber's functionals
  135. ^
  136. xclib_grad.F:1750:14: warning: missing terminating ' character
  137. ! Iann Gerber's functionals
  138. ^
  139. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c xclib_grad.f90
  140. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c xclib_grad.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  141. cpp -free radial.F radial.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  142. radial.F:1489:38: warning: missing terminating ' character
  143. ! x_i d mu_L'i(|x|)
  144. ^
  145. radial.F:1521:50: warning: missing terminating ' character
  146. ! the matrix elements < Y_L| nabla | Y_L'> are non zero
  147. ^
  148. radial.F:1522:18: warning: missing terminating ' character
  149. ! for L=L'+-1
  150. ^
  151. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c radial.f90
  152. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c radial.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  153. cpp -free pseudo.F pseudo.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  154. pseudo.F:68:74: warning: missing terminating ' character
  155. INTEGER,POINTER :: NDEP(:,:)! number of augmentation channels per ll'
  156. ^
  157. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c pseudo.f90
  158. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c pseudo.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  159. cpp -free gridq.F gridq.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  160. gridq.F:653:50: warning: missing terminating ' character
  161. ! the FFT routine handles the real to complex FFT's
  162. ^
  163. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c gridq.f90
  164. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c gridq.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  165. cpp -free ebs.F ebs.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  166. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c ebs.f90
  167. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c ebs.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  168. cpp -free mkpoints.F mkpoints.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  169. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c mkpoints.f90
  170. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c mkpoints.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  171. cpp -free wave.F wave.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  172. wave.F:55:62: warning: missing terminating ' character
  173. TYPE (grid_3d), POINTER ::GRID! pointer to a grid if FFT's are required
  174. ^
  175. wave.F:130:62: warning: missing terminating ' character
  176. TYPE (grid_3d), POINTER ::GRID! pointer to a grid if FFT's are required
  177. ^
  178. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c wave.f90
  179. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c wave.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  180. cpp -free wave_mpi.F wave_mpi.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  181. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c wave_mpi.f90
  182. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c wave_mpi.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  183. cpp -free wave_high.F wave_high.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  184. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c wave_high.f90
  185. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c wave_high.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  186. cpp -free symmetry.F symmetry.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  187. symmetry.F:282:66: warning: trigraph ??) ignored, use -trigraphs to enable [-Wtrigraphs]
  188. ! this is a quick hack (Juergen what are we supposed to do here ???)
  189. ^
  190. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c symmetry.f90
  191. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c symmetry.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  192. cpp -free symlib.F symlib.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  193. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c symlib.f90
  194. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c symlib.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  195. cpp -free lattlib.F lattlib.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  196. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c lattlib.f90
  197. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c lattlib.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  198. cpp -free random.F random.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  199. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c random.f90
  200. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c random.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  201. cpp -free nonl.F nonl.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  202. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c nonl.f90
  203. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c nonl.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  204. cpp -free nonlr.F nonlr.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  205. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c nonlr.f90
  206. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c nonlr.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  207. cpp -free nonl_high.F nonl_high.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  208. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c nonl_high.f90
  209. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c nonl_high.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  210. cpp -free dfast.F dfast.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  211. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c dfast.f90
  212. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c dfast.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  213. cpp -free choleski2.F choleski2.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  214. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c choleski2.f90
  215. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c choleski2.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  216. cpp -free mix.F mix.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  217. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c mix.f90
  218. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c mix.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  219. cpp -free hamil.F hamil.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  220. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c hamil.f90
  221. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c hamil.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  222. cpp -free xcgrad.F xcgrad.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  223. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c xcgrad.f90
  224. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c xcgrad.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  225. cpp -free xcspin.F xcspin.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  226. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c xcspin.f90
  227. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c xcspin.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  228. cpp -free potex1.F potex1.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  229. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c potex1.f90
  230. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c potex1.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  231. cpp -free potex2.F potex2.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  232. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c potex2.f90
  233. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c potex2.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  234. cpp -free constrmag.F constrmag.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  235. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c constrmag.f90
  236. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c constrmag.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  237. cpp -free cl_shift.F cl_shift.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  238. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c cl_shift.f90
  239. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c cl_shift.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  240. cpp -free relativistic.F relativistic.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  241. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c relativistic.f90
  242. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c relativistic.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  243. cpp -free LDApU.F LDApU.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  244. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c LDApU.f90
  245. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c LDApU.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  246. cpp -free paw_base.F paw_base.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  247. paw_base.F:935:28: warning: missing terminating ' character
  248. ! loop over all channels' (lmepsilon)
  249. ^
  250. paw_base.F:969:28: warning: missing terminating ' character
  251. ! loop over all channels' (lmepsilon)
  252. ^
  253. paw_base.F:1003:28: warning: missing terminating ' character
  254. ! loop over all channels' (lmepsilon)
  255. ^
  256. paw_base.F:1043:28: warning: missing terminating ' character
  257. ! loop over all channels' (lmepsilon)
  258. ^
  259. paw_base.F:1071:28: warning: missing terminating ' character
  260. ! loop over all channels' (lmepsilon)
  261. ^
  262. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c paw_base.f90
  263. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c paw_base.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  264. cpp -free metagga.F metagga.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  265. metagga.F:466:45: warning: missing terminating ' character
  266. ! This routine find the root using the Brent's method
  267. ^
  268. metagga.F:536:30: warning: missing terminating ' character
  269. !Now start the Brent's method
  270. ^
  271. metagga.F:3132:21: warning: missing terminating ' character
  272. ! PBE FUNCTIONAL'S PARAMETERS.
  273. ^
  274. metagga.F:5691:40: warning: missing terminating ' character
  275. ! x_i d dFXC_L'i(|x|)
  276. ^
  277. metagga.F:5705:50: warning: missing terminating ' character
  278. ! the matrix elements < Y_L| nabla | Y_L'> are non zero
  279. ^
  280. metagga.F:5706:18: warning: missing terminating ' character
  281. ! for L=L'+-1
  282. ^
  283. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c metagga.f90
  284. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c metagga.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  285. cpp -free egrad.F egrad.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  286. egrad.F:643:20: warning: missing terminating ' character
  287. ! MM. When input XA's are all inequivalent (to within rounoff)
  288. ^
  289. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c egrad.f90
  290. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c egrad.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  291. cpp -free pawsym.F pawsym.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  292. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c pawsym.f90
  293. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c pawsym.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  294. cpp -free pawfock.F pawfock.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  295. pawfock.F:25:15: warning: missing terminating ' character
  296. ! where G_L(r',r) is the Coloumb kernel (or Greens function)
  297. ^
  298. pawfock.F:28:44: warning: missing terminating ' character
  299. ! G_L(r',r) = 4 pi/(2L+1) (r',r)<^(L) /(r',r)>^(L+1)
  300. ^
  301. pawfock.F:111:15: warning: missing terminating ' character
  302. ! where G_L(r',r) is the Coloumb kernel (or Greens function)
  303. ^
  304. pawfock.F:114:44: warning: missing terminating ' character
  305. ! G_L(r',r) = 4 pi/(2L+1) (r',r)<^(L) /(r',r)>^(L+1)
  306. ^
  307. pawfock.F:226:14: warning: missing terminating ' character
  308. ! where G_L(r',r) is the Coloumb kernel (or Greens function)
  309. ^
  310. pawfock.F:229:44: warning: missing terminating ' character
  311. ! G_L(r',r) = 4 pi/(2L+1) (r',r)<^(L) /(r',r)>^(L+1)
  312. ^
  313. pawfock.F:268:56: warning: missing terminating ' character
  314. ! first segment \int_0^r G(r,r') rho(r') dr'
  315. ^
  316. pawfock.F:277:60: warning: missing terminating ' character
  317. ! second segment \int_r^Rmax G(r',r) rho(r') dr'
  318. ^
  319. pawfock.F:357:64: warning: missing terminating ' character
  320. ! output: range separated coulomb green function G_{l}_{rs}(r,r')
  321. ^
  322. pawfock.F:428:29: warning: missing terminating ' character
  323. ! store G_l_sr (r,r')
  324. ^
  325. pawfock.F:652:25: warning: missing terminating ' character
  326. ! POT_L = \int dr G_L(r',r) phi_l(r) phi_k(r)
  327. ^
  328. pawfock.F:654:15: warning: missing terminating ' character
  329. ! where G_L(r',r) is the Coloumb kernel (or Greens function)
  330. ^
  331. pawfock.F:657:44: warning: missing terminating ' character
  332. ! G_L(r',r) = 4 pi/(2L+1) (r',r)<^(L) /(r',r)>^(L+1)
  333. ^
  334. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c pawfock.f90
  335. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c pawfock.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  336. cpp -free pawlhf.F pawlhf.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  337. pawlhf.F:62:15: warning: missing terminating ' character
  338. ! where G_L(r',r) is the Coloumb kernel (or Greens function)
  339. ^
  340. pawlhf.F:65:44: warning: missing terminating ' character
  341. ! G_L(r',r) = 4 pi/(2L+1) (r',r)<^(L) /(r',r)>^(L+1)
  342. ^
  343. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c pawlhf.f90
  344. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c pawlhf.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  345. cpp -free rhfatm.F rhfatm.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  346. rhfatm.F:1059:46: warning: missing terminating ' character
  347. ! What to do here? Many possibilities ... let's keep it flexible for now ...
  348. ^
  349. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c rhfatm.f90
  350. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c rhfatm.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  351. cpp -free paw.F paw.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  352. paw.F:1144:47: warning: missing terminating ' character
  353. ! automatic arrays crash on IBM and SGI (thank's to Lucian Anton NAG, Zhengji Zhao SGI)
  354. ^
  355. paw.F:1319:9: warning: missing terminating ' character
  356. ! We'll need the pseudo charge density without augmentation in the metagga
  357. ^
  358. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c paw.f90
  359. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c paw.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  360. cpp -free mkpoints_full.F mkpoints_full.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  361. mkpoints_full.F:872:14: warning: missing terminating ' character
  362. ! k-points (k') that have symmetry-equivalent k-points in the IRBZ
  363. ^
  364. mkpoints_full.F:873:23: warning: missing terminating ' character
  365. ! for a Bloch vector k' not located in the IRBZ
  366. ^
  367. mkpoints_full.F:874:35: warning: missing terminating ' character
  368. ! IGX, IGY and IGZ is set to to G' = S G, where S is the symmetry
  369. ^
  370. mkpoints_full.F:875:26: warning: missing terminating ' character
  371. ! operation taking k to k' = S k
  372. ^
  373. mkpoints_full.F:879:23: warning: missing terminating ' character
  374. ! IGX, IGY, IGZ G'
  375. ^
  376. mkpoints_full.F:883:39: warning: missing terminating ' character
  377. ! going from k to k'
  378. ^
  379. mkpoints_full.F:1418:45: warning: missing terminating ' character
  380. ! from one k point in the IRBZ to another k'=S k and performs an FFT
  381. ^
  382. mkpoints_full.F:1420:62: warning: missing terminating ' character
  383. ! The trick is to know the index of the rotated plane wave G'= S G
  384. ^
  385. mkpoints_full.F:1431:36: warning: missing terminating ' character
  386. ! IGX, IGY and IGZ and NINDPW to G' = S G,
  387. ^
  388. mkpoints_full.F:1432:51: warning: missing terminating ' character
  389. ! where S is the symmetry operation taking k to k' = S k
  390. ^
  391. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c mkpoints_full.f90
  392. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c mkpoints_full.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  393. cpp -free charge.F charge.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  394. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c charge.f90
  395. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c charge.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  396. cpp -free Lebedev-Laikov.F Lebedev-Laikov.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  397. Lebedev-Laikov.F:22:14: warning: missing terminating " character
  398. !!chvd "A quadrature formula for the sphere of the 131st
  399. ^
  400. Lebedev-Laikov.F:23:42: warning: missing terminating " character
  401. !!chvd algebraic order of accuracy"
  402. ^
  403. Lebedev-Laikov.F:27:14: warning: missing terminating " character
  404. !!chvd "A quadrature formula for the sphere of 59th algebraic
  405. ^
  406. Lebedev-Laikov.F:28:32: warning: missing terminating " character
  407. !!chvd order of accuracy"
  408. ^
  409. Lebedev-Laikov.F:45:14: warning: missing terminating " character
  410. !!chvd "Values of the nodes and weights of ninth to seventeenth
  411. ^
  412. Lebedev-Laikov.F:47:46: warning: missing terminating " character
  413. !!chvd octahedron group with inversion"
  414. ^
  415. Lebedev-Laikov.F:614:13: warning: missing terminating " character
  416. !chvd "A quadrature formula for the sphere of the 131st
  417. ^
  418. Lebedev-Laikov.F:615:41: warning: missing terminating " character
  419. !chvd algebraic order of accuracy"
  420. ^
  421. Lebedev-Laikov.F:619:13: warning: missing terminating " character
  422. !chvd "A quadrature formula for the sphere of 59th algebraic
  423. ^
  424. Lebedev-Laikov.F:620:31: warning: missing terminating " character
  425. !chvd order of accuracy"
  426. ^
  427. Lebedev-Laikov.F:637:13: warning: missing terminating " character
  428. !chvd "Values of the nodes and weights of ninth to seventeenth
  429. ^
  430. Lebedev-Laikov.F:639:45: warning: missing terminating " character
  431. !chvd octahedron group with inversion"
  432. ^
  433. Lebedev-Laikov.F:674:13: warning: missing terminating " character
  434. !chvd "A quadrature formula for the sphere of the 131st
  435. ^
  436. Lebedev-Laikov.F:675:41: warning: missing terminating " character
  437. !chvd algebraic order of accuracy"
  438. ^
  439. Lebedev-Laikov.F:679:13: warning: missing terminating " character
  440. !chvd "A quadrature formula for the sphere of 59th algebraic
  441. ^
  442. Lebedev-Laikov.F:680:31: warning: missing terminating " character
  443. !chvd order of accuracy"
  444. ^
  445. Lebedev-Laikov.F:697:13: warning: missing terminating " character
  446. !chvd "Values of the nodes and weights of ninth to seventeenth
  447. ^
  448. Lebedev-Laikov.F:699:45: warning: missing terminating " character
  449. !chvd octahedron group with inversion"
  450. ^
  451. Lebedev-Laikov.F:736:13: warning: missing terminating " character
  452. !chvd "A quadrature formula for the sphere of the 131st
  453. ^
  454. Lebedev-Laikov.F:737:41: warning: missing terminating " character
  455. !chvd algebraic order of accuracy"
  456. ^
  457. Lebedev-Laikov.F:741:13: warning: missing terminating " character
  458. !chvd "A quadrature formula for the sphere of 59th algebraic
  459. ^
  460. Lebedev-Laikov.F:742:31: warning: missing terminating " character
  461. !chvd order of accuracy"
  462. ^
  463. Lebedev-Laikov.F:759:13: warning: missing terminating " character
  464. !chvd "Values of the nodes and weights of ninth to seventeenth
  465. ^
  466. Lebedev-Laikov.F:761:45: warning: missing terminating " character
  467. !chvd octahedron group with inversion"
  468. ^
  469. Lebedev-Laikov.F:800:13: warning: missing terminating " character
  470. !chvd "A quadrature formula for the sphere of the 131st
  471. ^
  472. Lebedev-Laikov.F:801:41: warning: missing terminating " character
  473. !chvd algebraic order of accuracy"
  474. ^
  475. Lebedev-Laikov.F:805:13: warning: missing terminating " character
  476. !chvd "A quadrature formula for the sphere of 59th algebraic
  477. ^
  478. Lebedev-Laikov.F:806:31: warning: missing terminating " character
  479. !chvd order of accuracy"
  480. ^
  481. Lebedev-Laikov.F:823:13: warning: missing terminating " character
  482. !chvd "Values of the nodes and weights of ninth to seventeenth
  483. ^
  484. Lebedev-Laikov.F:825:45: warning: missing terminating " character
  485. !chvd octahedron group with inversion"
  486. ^
  487. Lebedev-Laikov.F:865:13: warning: missing terminating " character
  488. !chvd "A quadrature formula for the sphere of the 131st
  489. ^
  490. Lebedev-Laikov.F:866:41: warning: missing terminating " character
  491. !chvd algebraic order of accuracy"
  492. ^
  493. Lebedev-Laikov.F:870:13: warning: missing terminating " character
  494. !chvd "A quadrature formula for the sphere of 59th algebraic
  495. ^
  496. Lebedev-Laikov.F:871:31: warning: missing terminating " character
  497. !chvd order of accuracy"
  498. ^
  499. Lebedev-Laikov.F:888:13: warning: missing terminating " character
  500. !chvd "Values of the nodes and weights of ninth to seventeenth
  501. ^
  502. Lebedev-Laikov.F:890:45: warning: missing terminating " character
  503. !chvd octahedron group with inversion"
  504. ^
  505. Lebedev-Laikov.F:932:13: warning: missing terminating " character
  506. !chvd "A quadrature formula for the sphere of the 131st
  507. ^
  508. Lebedev-Laikov.F:933:41: warning: missing terminating " character
  509. !chvd algebraic order of accuracy"
  510. ^
  511. Lebedev-Laikov.F:937:13: warning: missing terminating " character
  512. !chvd "A quadrature formula for the sphere of 59th algebraic
  513. ^
  514. Lebedev-Laikov.F:938:31: warning: missing terminating " character
  515. !chvd order of accuracy"
  516. ^
  517. Lebedev-Laikov.F:955:13: warning: missing terminating " character
  518. !chvd "Values of the nodes and weights of ninth to seventeenth
  519. ^
  520. Lebedev-Laikov.F:957:45: warning: missing terminating " character
  521. !chvd octahedron group with inversion"
  522. ^
  523. Lebedev-Laikov.F:1002:13: warning: missing terminating " character
  524. !chvd "A quadrature formula for the sphere of the 131st
  525. ^
  526. Lebedev-Laikov.F:1003:41: warning: missing terminating " character
  527. !chvd algebraic order of accuracy"
  528. ^
  529. Lebedev-Laikov.F:1007:13: warning: missing terminating " character
  530. !chvd "A quadrature formula for the sphere of 59th algebraic
  531. ^
  532. Lebedev-Laikov.F:1008:31: warning: missing terminating " character
  533. !chvd order of accuracy"
  534. ^
  535. Lebedev-Laikov.F:1025:13: warning: missing terminating " character
  536. !chvd "Values of the nodes and weights of ninth to seventeenth
  537. ^
  538. Lebedev-Laikov.F:1027:45: warning: missing terminating " character
  539. !chvd octahedron group with inversion"
  540. ^
  541. Lebedev-Laikov.F:1073:13: warning: missing terminating " character
  542. !chvd "A quadrature formula for the sphere of the 131st
  543. ^
  544. Lebedev-Laikov.F:1074:41: warning: missing terminating " character
  545. !chvd algebraic order of accuracy"
  546. ^
  547. Lebedev-Laikov.F:1078:13: warning: missing terminating " character
  548. !chvd "A quadrature formula for the sphere of 59th algebraic
  549. ^
  550. Lebedev-Laikov.F:1079:31: warning: missing terminating " character
  551. !chvd order of accuracy"
  552. ^
  553. Lebedev-Laikov.F:1096:13: warning: missing terminating " character
  554. !chvd "Values of the nodes and weights of ninth to seventeenth
  555. ^
  556. Lebedev-Laikov.F:1098:45: warning: missing terminating " character
  557. !chvd octahedron group with inversion"
  558. ^
  559. Lebedev-Laikov.F:1147:13: warning: missing terminating " character
  560. !chvd "A quadrature formula for the sphere of the 131st
  561. ^
  562. Lebedev-Laikov.F:1148:41: warning: missing terminating " character
  563. !chvd algebraic order of accuracy"
  564. ^
  565. Lebedev-Laikov.F:1152:13: warning: missing terminating " character
  566. !chvd "A quadrature formula for the sphere of 59th algebraic
  567. ^
  568. Lebedev-Laikov.F:1153:31: warning: missing terminating " character
  569. !chvd order of accuracy"
  570. ^
  571. Lebedev-Laikov.F:1170:13: warning: missing terminating " character
  572. !chvd "Values of the nodes and weights of ninth to seventeenth
  573. ^
  574. Lebedev-Laikov.F:1172:45: warning: missing terminating " character
  575. !chvd octahedron group with inversion"
  576. ^
  577. Lebedev-Laikov.F:1224:13: warning: missing terminating " character
  578. !chvd "A quadrature formula for the sphere of the 131st
  579. ^
  580. Lebedev-Laikov.F:1225:41: warning: missing terminating " character
  581. !chvd algebraic order of accuracy"
  582. ^
  583. Lebedev-Laikov.F:1229:13: warning: missing terminating " character
  584. !chvd "A quadrature formula for the sphere of 59th algebraic
  585. ^
  586. Lebedev-Laikov.F:1230:31: warning: missing terminating " character
  587. !chvd order of accuracy"
  588. ^
  589. Lebedev-Laikov.F:1247:13: warning: missing terminating " character
  590. !chvd "Values of the nodes and weights of ninth to seventeenth
  591. ^
  592. Lebedev-Laikov.F:1249:45: warning: missing terminating " character
  593. !chvd octahedron group with inversion"
  594. ^
  595. Lebedev-Laikov.F:1304:13: warning: missing terminating " character
  596. !chvd "A quadrature formula for the sphere of the 131st
  597. ^
  598. Lebedev-Laikov.F:1305:41: warning: missing terminating " character
  599. !chvd algebraic order of accuracy"
  600. ^
  601. Lebedev-Laikov.F:1309:13: warning: missing terminating " character
  602. !chvd "A quadrature formula for the sphere of 59th algebraic
  603. ^
  604. Lebedev-Laikov.F:1310:31: warning: missing terminating " character
  605. !chvd order of accuracy"
  606. ^
  607. Lebedev-Laikov.F:1327:13: warning: missing terminating " character
  608. !chvd "Values of the nodes and weights of ninth to seventeenth
  609. ^
  610. Lebedev-Laikov.F:1329:45: warning: missing terminating " character
  611. !chvd octahedron group with inversion"
  612. ^
  613. Lebedev-Laikov.F:1387:13: warning: missing terminating " character
  614. !chvd "A quadrature formula for the sphere of the 131st
  615. ^
  616. Lebedev-Laikov.F:1388:41: warning: missing terminating " character
  617. !chvd algebraic order of accuracy"
  618. ^
  619. Lebedev-Laikov.F:1392:13: warning: missing terminating " character
  620. !chvd "A quadrature formula for the sphere of 59th algebraic
  621. ^
  622. Lebedev-Laikov.F:1393:31: warning: missing terminating " character
  623. !chvd order of accuracy"
  624. ^
  625. Lebedev-Laikov.F:1410:13: warning: missing terminating " character
  626. !chvd "Values of the nodes and weights of ninth to seventeenth
  627. ^
  628. Lebedev-Laikov.F:1412:45: warning: missing terminating " character
  629. !chvd octahedron group with inversion"
  630. ^
  631. Lebedev-Laikov.F:1474:13: warning: missing terminating " character
  632. !chvd "A quadrature formula for the sphere of the 131st
  633. ^
  634. Lebedev-Laikov.F:1475:41: warning: missing terminating " character
  635. !chvd algebraic order of accuracy"
  636. ^
  637. Lebedev-Laikov.F:1479:13: warning: missing terminating " character
  638. !chvd "A quadrature formula for the sphere of 59th algebraic
  639. ^
  640. Lebedev-Laikov.F:1480:31: warning: missing terminating " character
  641. !chvd order of accuracy"
  642. ^
  643. Lebedev-Laikov.F:1497:13: warning: missing terminating " character
  644. !chvd "Values of the nodes and weights of ninth to seventeenth
  645. ^
  646. Lebedev-Laikov.F:1499:45: warning: missing terminating " character
  647. !chvd octahedron group with inversion"
  648. ^
  649. Lebedev-Laikov.F:1564:13: warning: missing terminating " character
  650. !chvd "A quadrature formula for the sphere of the 131st
  651. ^
  652. Lebedev-Laikov.F:1565:41: warning: missing terminating " character
  653. !chvd algebraic order of accuracy"
  654. ^
  655. Lebedev-Laikov.F:1569:13: warning: missing terminating " character
  656. !chvd "A quadrature formula for the sphere of 59th algebraic
  657. ^
  658. Lebedev-Laikov.F:1570:31: warning: missing terminating " character
  659. !chvd order of accuracy"
  660. ^
  661. Lebedev-Laikov.F:1587:13: warning: missing terminating " character
  662. !chvd "Values of the nodes and weights of ninth to seventeenth
  663. ^
  664. Lebedev-Laikov.F:1589:45: warning: missing terminating " character
  665. !chvd octahedron group with inversion"
  666. ^
  667. Lebedev-Laikov.F:1658:13: warning: missing terminating " character
  668. !chvd "A quadrature formula for the sphere of the 131st
  669. ^
  670. Lebedev-Laikov.F:1659:41: warning: missing terminating " character
  671. !chvd algebraic order of accuracy"
  672. ^
  673. Lebedev-Laikov.F:1663:13: warning: missing terminating " character
  674. !chvd "A quadrature formula for the sphere of 59th algebraic
  675. ^
  676. Lebedev-Laikov.F:1664:31: warning: missing terminating " character
  677. !chvd order of accuracy"
  678. ^
  679. Lebedev-Laikov.F:1681:13: warning: missing terminating " character
  680. !chvd "Values of the nodes and weights of ninth to seventeenth
  681. ^
  682. Lebedev-Laikov.F:1683:45: warning: missing terminating " character
  683. !chvd octahedron group with inversion"
  684. ^
  685. Lebedev-Laikov.F:1756:13: warning: missing terminating " character
  686. !chvd "A quadrature formula for the sphere of the 131st
  687. ^
  688. Lebedev-Laikov.F:1757:41: warning: missing terminating " character
  689. !chvd algebraic order of accuracy"
  690. ^
  691. Lebedev-Laikov.F:1761:13: warning: missing terminating " character
  692. !chvd "A quadrature formula for the sphere of 59th algebraic
  693. ^
  694. Lebedev-Laikov.F:1762:31: warning: missing terminating " character
  695. !chvd order of accuracy"
  696. ^
  697. Lebedev-Laikov.F:1779:13: warning: missing terminating " character
  698. !chvd "Values of the nodes and weights of ninth to seventeenth
  699. ^
  700. Lebedev-Laikov.F:1781:45: warning: missing terminating " character
  701. !chvd octahedron group with inversion"
  702. ^
  703. Lebedev-Laikov.F:1863:13: warning: missing terminating " character
  704. !chvd "A quadrature formula for the sphere of the 131st
  705. ^
  706. Lebedev-Laikov.F:1864:41: warning: missing terminating " character
  707. !chvd algebraic order of accuracy"
  708. ^
  709. Lebedev-Laikov.F:1868:13: warning: missing terminating " character
  710. !chvd "A quadrature formula for the sphere of 59th algebraic
  711. ^
  712. Lebedev-Laikov.F:1869:31: warning: missing terminating " character
  713. !chvd order of accuracy"
  714. ^
  715. Lebedev-Laikov.F:1886:13: warning: missing terminating " character
  716. !chvd "Values of the nodes and weights of ninth to seventeenth
  717. ^
  718. Lebedev-Laikov.F:1888:45: warning: missing terminating " character
  719. !chvd octahedron group with inversion"
  720. ^
  721. Lebedev-Laikov.F:1985:13: warning: missing terminating " character
  722. !chvd "A quadrature formula for the sphere of the 131st
  723. ^
  724. Lebedev-Laikov.F:1986:41: warning: missing terminating " character
  725. !chvd algebraic order of accuracy"
  726. ^
  727. Lebedev-Laikov.F:1990:13: warning: missing terminating " character
  728. !chvd "A quadrature formula for the sphere of 59th algebraic
  729. ^
  730. Lebedev-Laikov.F:1991:31: warning: missing terminating " character
  731. !chvd order of accuracy"
  732. ^
  733. Lebedev-Laikov.F:2008:13: warning: missing terminating " character
  734. !chvd "Values of the nodes and weights of ninth to seventeenth
  735. ^
  736. Lebedev-Laikov.F:2010:45: warning: missing terminating " character
  737. !chvd octahedron group with inversion"
  738. ^
  739. Lebedev-Laikov.F:2124:13: warning: missing terminating " character
  740. !chvd "A quadrature formula for the sphere of the 131st
  741. ^
  742. Lebedev-Laikov.F:2125:41: warning: missing terminating " character
  743. !chvd algebraic order of accuracy"
  744. ^
  745. Lebedev-Laikov.F:2129:13: warning: missing terminating " character
  746. !chvd "A quadrature formula for the sphere of 59th algebraic
  747. ^
  748. Lebedev-Laikov.F:2130:31: warning: missing terminating " character
  749. !chvd order of accuracy"
  750. ^
  751. Lebedev-Laikov.F:2147:13: warning: missing terminating " character
  752. !chvd "Values of the nodes and weights of ninth to seventeenth
  753. ^
  754. Lebedev-Laikov.F:2149:45: warning: missing terminating " character
  755. !chvd octahedron group with inversion"
  756. ^
  757. Lebedev-Laikov.F:2282:13: warning: missing terminating " character
  758. !chvd "A quadrature formula for the sphere of the 131st
  759. ^
  760. Lebedev-Laikov.F:2283:41: warning: missing terminating " character
  761. !chvd algebraic order of accuracy"
  762. ^
  763. Lebedev-Laikov.F:2287:13: warning: missing terminating " character
  764. !chvd "A quadrature formula for the sphere of 59th algebraic
  765. ^
  766. Lebedev-Laikov.F:2288:31: warning: missing terminating " character
  767. !chvd order of accuracy"
  768. ^
  769. Lebedev-Laikov.F:2305:13: warning: missing terminating " character
  770. !chvd "Values of the nodes and weights of ninth to seventeenth
  771. ^
  772. Lebedev-Laikov.F:2307:45: warning: missing terminating " character
  773. !chvd octahedron group with inversion"
  774. ^
  775. Lebedev-Laikov.F:2461:13: warning: missing terminating " character
  776. !chvd "A quadrature formula for the sphere of the 131st
  777. ^
  778. Lebedev-Laikov.F:2462:41: warning: missing terminating " character
  779. !chvd algebraic order of accuracy"
  780. ^
  781. Lebedev-Laikov.F:2466:13: warning: missing terminating " character
  782. !chvd "A quadrature formula for the sphere of 59th algebraic
  783. ^
  784. Lebedev-Laikov.F:2467:31: warning: missing terminating " character
  785. !chvd order of accuracy"
  786. ^
  787. Lebedev-Laikov.F:2484:13: warning: missing terminating " character
  788. !chvd "Values of the nodes and weights of ninth to seventeenth
  789. ^
  790. Lebedev-Laikov.F:2486:45: warning: missing terminating " character
  791. !chvd octahedron group with inversion"
  792. ^
  793. Lebedev-Laikov.F:2663:13: warning: missing terminating " character
  794. !chvd "A quadrature formula for the sphere of the 131st
  795. ^
  796. Lebedev-Laikov.F:2664:41: warning: missing terminating " character
  797. !chvd algebraic order of accuracy"
  798. ^
  799. Lebedev-Laikov.F:2668:13: warning: missing terminating " character
  800. !chvd "A quadrature formula for the sphere of 59th algebraic
  801. ^
  802. Lebedev-Laikov.F:2669:31: warning: missing terminating " character
  803. !chvd order of accuracy"
  804. ^
  805. Lebedev-Laikov.F:2686:13: warning: missing terminating " character
  806. !chvd "Values of the nodes and weights of ninth to seventeenth
  807. ^
  808. Lebedev-Laikov.F:2688:45: warning: missing terminating " character
  809. !chvd octahedron group with inversion"
  810. ^
  811. Lebedev-Laikov.F:2890:13: warning: missing terminating " character
  812. !chvd "A quadrature formula for the sphere of the 131st
  813. ^
  814. Lebedev-Laikov.F:2891:41: warning: missing terminating " character
  815. !chvd algebraic order of accuracy"
  816. ^
  817. Lebedev-Laikov.F:2895:13: warning: missing terminating " character
  818. !chvd "A quadrature formula for the sphere of 59th algebraic
  819. ^
  820. Lebedev-Laikov.F:2896:31: warning: missing terminating " character
  821. !chvd order of accuracy"
  822. ^
  823. Lebedev-Laikov.F:2913:13: warning: missing terminating " character
  824. !chvd "Values of the nodes and weights of ninth to seventeenth
  825. ^
  826. Lebedev-Laikov.F:2915:45: warning: missing terminating " character
  827. !chvd octahedron group with inversion"
  828. ^
  829. Lebedev-Laikov.F:3144:13: warning: missing terminating " character
  830. !chvd "A quadrature formula for the sphere of the 131st
  831. ^
  832. Lebedev-Laikov.F:3145:41: warning: missing terminating " character
  833. !chvd algebraic order of accuracy"
  834. ^
  835. Lebedev-Laikov.F:3149:13: warning: missing terminating " character
  836. !chvd "A quadrature formula for the sphere of 59th algebraic
  837. ^
  838. Lebedev-Laikov.F:3150:31: warning: missing terminating " character
  839. !chvd order of accuracy"
  840. ^
  841. Lebedev-Laikov.F:3167:13: warning: missing terminating " character
  842. !chvd "Values of the nodes and weights of ninth to seventeenth
  843. ^
  844. Lebedev-Laikov.F:3169:45: warning: missing terminating " character
  845. !chvd octahedron group with inversion"
  846. ^
  847. Lebedev-Laikov.F:3427:13: warning: missing terminating " character
  848. !chvd "A quadrature formula for the sphere of the 131st
  849. ^
  850. Lebedev-Laikov.F:3428:41: warning: missing terminating " character
  851. !chvd algebraic order of accuracy"
  852. ^
  853. Lebedev-Laikov.F:3432:13: warning: missing terminating " character
  854. !chvd "A quadrature formula for the sphere of 59th algebraic
  855. ^
  856. Lebedev-Laikov.F:3433:31: warning: missing terminating " character
  857. !chvd order of accuracy"
  858. ^
  859. Lebedev-Laikov.F:3450:13: warning: missing terminating " character
  860. !chvd "Values of the nodes and weights of ninth to seventeenth
  861. ^
  862. Lebedev-Laikov.F:3452:45: warning: missing terminating " character
  863. !chvd octahedron group with inversion"
  864. ^
  865. Lebedev-Laikov.F:3741:13: warning: missing terminating " character
  866. !chvd "A quadrature formula for the sphere of the 131st
  867. ^
  868. Lebedev-Laikov.F:3742:41: warning: missing terminating " character
  869. !chvd algebraic order of accuracy"
  870. ^
  871. Lebedev-Laikov.F:3746:13: warning: missing terminating " character
  872. !chvd "A quadrature formula for the sphere of 59th algebraic
  873. ^
  874. Lebedev-Laikov.F:3747:31: warning: missing terminating " character
  875. !chvd order of accuracy"
  876. ^
  877. Lebedev-Laikov.F:3764:13: warning: missing terminating " character
  878. !chvd "Values of the nodes and weights of ninth to seventeenth
  879. ^
  880. Lebedev-Laikov.F:3766:45: warning: missing terminating " character
  881. !chvd octahedron group with inversion"
  882. ^
  883. Lebedev-Laikov.F:4088:13: warning: missing terminating " character
  884. !chvd "A quadrature formula for the sphere of the 131st
  885. ^
  886. Lebedev-Laikov.F:4089:41: warning: missing terminating " character
  887. !chvd algebraic order of accuracy"
  888. ^
  889. Lebedev-Laikov.F:4093:13: warning: missing terminating " character
  890. !chvd "A quadrature formula for the sphere of 59th algebraic
  891. ^
  892. Lebedev-Laikov.F:4094:31: warning: missing terminating " character
  893. !chvd order of accuracy"
  894. ^
  895. Lebedev-Laikov.F:4111:13: warning: missing terminating " character
  896. !chvd "Values of the nodes and weights of ninth to seventeenth
  897. ^
  898. Lebedev-Laikov.F:4113:45: warning: missing terminating " character
  899. !chvd octahedron group with inversion"
  900. ^
  901. Lebedev-Laikov.F:4470:13: warning: missing terminating " character
  902. !chvd "A quadrature formula for the sphere of the 131st
  903. ^
  904. Lebedev-Laikov.F:4471:41: warning: missing terminating " character
  905. !chvd algebraic order of accuracy"
  906. ^
  907. Lebedev-Laikov.F:4475:13: warning: missing terminating " character
  908. !chvd "A quadrature formula for the sphere of 59th algebraic
  909. ^
  910. Lebedev-Laikov.F:4476:31: warning: missing terminating " character
  911. !chvd order of accuracy"
  912. ^
  913. Lebedev-Laikov.F:4493:13: warning: missing terminating " character
  914. !chvd "Values of the nodes and weights of ninth to seventeenth
  915. ^
  916. Lebedev-Laikov.F:4495:45: warning: missing terminating " character
  917. !chvd octahedron group with inversion"
  918. ^
  919. Lebedev-Laikov.F:4889:13: warning: missing terminating " character
  920. !chvd "A quadrature formula for the sphere of the 131st
  921. ^
  922. Lebedev-Laikov.F:4890:41: warning: missing terminating " character
  923. !chvd algebraic order of accuracy"
  924. ^
  925. Lebedev-Laikov.F:4894:13: warning: missing terminating " character
  926. !chvd "A quadrature formula for the sphere of 59th algebraic
  927. ^
  928. Lebedev-Laikov.F:4895:31: warning: missing terminating " character
  929. !chvd order of accuracy"
  930. ^
  931. Lebedev-Laikov.F:4912:13: warning: missing terminating " character
  932. !chvd "Values of the nodes and weights of ninth to seventeenth
  933. ^
  934. Lebedev-Laikov.F:4914:45: warning: missing terminating " character
  935. !chvd octahedron group with inversion"
  936. ^
  937. Lebedev-Laikov.F:5347:13: warning: missing terminating " character
  938. !chvd "A quadrature formula for the sphere of the 131st
  939. ^
  940. Lebedev-Laikov.F:5348:41: warning: missing terminating " character
  941. !chvd algebraic order of accuracy"
  942. ^
  943. Lebedev-Laikov.F:5352:13: warning: missing terminating " character
  944. !chvd "A quadrature formula for the sphere of 59th algebraic
  945. ^
  946. Lebedev-Laikov.F:5353:31: warning: missing terminating " character
  947. !chvd order of accuracy"
  948. ^
  949. Lebedev-Laikov.F:5370:13: warning: missing terminating " character
  950. !chvd "Values of the nodes and weights of ninth to seventeenth
  951. ^
  952. Lebedev-Laikov.F:5372:45: warning: missing terminating " character
  953. !chvd octahedron group with inversion"
  954. ^
  955. Lebedev-Laikov.F:5846:13: warning: missing terminating " character
  956. !chvd "A quadrature formula for the sphere of the 131st
  957. ^
  958. Lebedev-Laikov.F:5847:41: warning: missing terminating " character
  959. !chvd algebraic order of accuracy"
  960. ^
  961. Lebedev-Laikov.F:5851:13: warning: missing terminating " character
  962. !chvd "A quadrature formula for the sphere of 59th algebraic
  963. ^
  964. Lebedev-Laikov.F:5852:31: warning: missing terminating " character
  965. !chvd order of accuracy"
  966. ^
  967. Lebedev-Laikov.F:5869:13: warning: missing terminating " character
  968. !chvd "Values of the nodes and weights of ninth to seventeenth
  969. ^
  970. Lebedev-Laikov.F:5871:45: warning: missing terminating " character
  971. !chvd octahedron group with inversion"
  972. ^
  973. Lebedev-Laikov.F:6388:13: warning: missing terminating " character
  974. !chvd "A quadrature formula for the sphere of the 131st
  975. ^
  976. Lebedev-Laikov.F:6389:41: warning: missing terminating " character
  977. !chvd algebraic order of accuracy"
  978. ^
  979. Lebedev-Laikov.F:6393:13: warning: missing terminating " character
  980. !chvd "A quadrature formula for the sphere of 59th algebraic
  981. ^
  982. Lebedev-Laikov.F:6394:31: warning: missing terminating " character
  983. !chvd order of accuracy"
  984. ^
  985. Lebedev-Laikov.F:6411:13: warning: missing terminating " character
  986. !chvd "Values of the nodes and weights of ninth to seventeenth
  987. ^
  988. Lebedev-Laikov.F:6413:45: warning: missing terminating " character
  989. !chvd octahedron group with inversion"
  990. ^
  991. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c Lebedev-Laikov.f90
  992. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c Lebedev-Laikov.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  993. cpp -free stockholder.F stockholder.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  994. stockholder.F:1881:20: warning: missing terminating ' character
  995. ! MM. When input XA's are all inequivalent (to within rounoff)
  996. ^
  997. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c stockholder.f90
  998. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c stockholder.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  999. cpp -free dipol.F dipol.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1000. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c dipol.f90
  1001. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c dipol.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1002. cpp -free pot.F pot.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1003. pot.F:559:41: warning: missing terminating ' character
  1004. ! drho_i(|r-R_i|)/dR_i,a = -rho'(|r-R_i|) (r_a-R_i,a)/|r-R_i|
  1005. ^
  1006. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c pot.f90
  1007. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c pot.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1008. cpp -free dos.F dos.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1009. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c dos.f90
  1010. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c dos.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1011. cpp -free elf.F elf.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1012. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c elf.f90
  1013. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c elf.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1014. cpp -free tet.F tet.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1015. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c tet.f90
  1016. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c tet.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1017. cpp -free tetweight.F tetweight.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1018. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c tetweight.f90
  1019. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c tetweight.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1020. cpp -free hamil_rot.F hamil_rot.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1021. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c hamil_rot.f90
  1022. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c hamil_rot.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1023. cpp -free steep.F steep.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1024. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c steep.f90
  1025. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c steep.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1026. cpp -free chain.F chain.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1027. chain.F:21:42: warning: missing terminating ' character
  1028. ! tag VCAIMAGES allows to perform two MD's with e.g. different POTCAR files
  1029. ^
  1030. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c chain.f90
  1031. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c chain.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1032. cpp -free dyna.F dyna.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1033. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c dyna.f90
  1034. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c dyna.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1035. cpp -free sphpro.F sphpro.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1036. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c sphpro.f90
  1037. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c sphpro.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1038. cpp -free us.F us.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1039. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c us.f90
  1040. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c us.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1041. cpp -free core_rel.F core_rel.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1042. core_rel.F:5465:20: warning: missing terminating ' character
  1043. ! MM. When input XA's are all inequivalent (to within rounoff)
  1044. ^
  1045. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c core_rel.f90
  1046. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c core_rel.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1047. cpp -free aedens.F aedens.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1048. aedens.F:728:20: warning: missing terminating ' character
  1049. ! MM. When input XA's are all inequivalent (to within rounoff)
  1050. ^
  1051. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c aedens.f90
  1052. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c aedens.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1053. cpp -free wavpre.F wavpre.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1054. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c wavpre.f90
  1055. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c wavpre.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1056. cpp -free wavpre_noio.F wavpre_noio.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1057. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c wavpre_noio.f90
  1058. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c wavpre_noio.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1059. cpp -free broyden.F broyden.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1060. broyden.F:69:47: warning: missing terminating ' character
  1061. ! double NCHARGE to hold tau for metaGGA's
  1062. ^
  1063. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c broyden.f90
  1064. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c broyden.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1065. cpp -free dynbr.F dynbr.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1066. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c dynbr.f90
  1067. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c dynbr.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1068. cpp -free rmm-diis.F rmm-diis.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1069. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c rmm-diis.f90
  1070. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c rmm-diis.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1071. cpp -free reader.F reader.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1072. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c reader.f90
  1073. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c reader.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1074. cpp -free writer.F writer.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1075. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c writer.f90
  1076. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c writer.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1077. cpp -free tutor.F tutor.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1078. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c tutor.f90
  1079. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c tutor.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1080. cpp -free xml_writer.F xml_writer.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1081. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c xml_writer.f90
  1082. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c xml_writer.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1083. cpp -free brent.F brent.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1084. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c brent.f90
  1085. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c brent.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1086. cpp -free stufak.F stufak.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1087. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c stufak.f90
  1088. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c stufak.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1089. cpp -free fileio.F fileio.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1090. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c fileio.f90
  1091. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c fileio.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1092. cpp -free opergrid.F opergrid.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1093. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c opergrid.f90
  1094. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c opergrid.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1095. cpp -free stepver.F stepver.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1096. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c stepver.f90
  1097. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c stepver.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1098. cpp -free chgloc.F chgloc.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1099. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c chgloc.f90
  1100. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c chgloc.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1101. cpp -free fast_aug.F fast_aug.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1102. fast_aug.F:1247:62: warning: missing terminating ' character
  1103. ! loop over all channels CH1,CH2= (l,epsilon),(l,epsilon)'
  1104. ^
  1105. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c fast_aug.f90
  1106. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c fast_aug.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1107. cpp -free fock.F fock.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1108. fock.F:1462:23: warning: missing terminating " character
  1109. WRITE(IU6,"( / &
  1110. ^
  1111. fock.F:1464:104: warning: missing terminating " character
  1112. ' MCALPHA =',F10.4,' extent of test-charge in conv. correction in multipole expansion'/)") MCALPHA
  1113. ^
  1114. fock.F:3102:65: warning: missing terminating ' character
  1115. ! back to real space to get \int phi_q(r) phi_k(r) / (r-r') d3r
  1116. ^
  1117. fock.F:3523:65: warning: missing terminating ' character
  1118. ! back to real space to get \int phi_q(r) phi_k(r) / (r-r') d3r
  1119. ^
  1120. fock.F:3937:65: warning: missing terminating ' character
  1121. ! back to real space to get \int phi_q(r) phi_k(r) / (r-r') d3r
  1122. ^
  1123. fock.F:3966:65: warning: missing terminating ' character
  1124. ! back to real space to get \int phi_q(r) phi_k(r) / (r-r') d3r
  1125. ^
  1126. fock.F:4322:65: warning: missing terminating ' character
  1127. ! back to real space to get \int phi_q(r) phi_k(r) / (r-r') d3r
  1128. ^
  1129. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c fock.f90
  1130. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c fock.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1131. cpp -free mkpoints_change.F mkpoints_change.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1132. mkpoints_change.F:769:37: warning: missing terminating ' character
  1133. ! corresponding vector G'=S G
  1134. ^
  1135. mkpoints_change.F:770:62: warning: missing terminating ' character
  1136. ! S is the symmetry operation taking k_irz into k' = S k_irz
  1137. ^
  1138. mkpoints_change.F:775:64: warning: missing terminating ' character
  1139. ! KPOINTS_TRANS%NINDPW(NI,NK) stores the index of G' = S G
  1140. ^
  1141. mkpoints_change.F:995:37: warning: missing terminating ' character
  1142. ! corresponding vector G'=S G
  1143. ^
  1144. mkpoints_change.F:996:64: warning: missing terminating ' character
  1145. ! S is the symmetry operation taking G+k_irz into G' = S (G+k_irz) - k_irz
  1146. ^
  1147. mkpoints_change.F:1001:64: warning: missing terminating ' character
  1148. ! KPOINTS_TRANS%NINDPW(NI,NK) stores the index of G' = S G
  1149. ^
  1150. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c mkpoints_change.f90
  1151. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c mkpoints_change.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1152. cpp -free sym_grad.F sym_grad.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1153. sym_grad.F:245:17: warning: missing terminating ' character
  1154. ! of G' = S G, where S is the symmetry operation leaving the k point invariant
  1155. ^
  1156. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c sym_grad.f90
  1157. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c sym_grad.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1158. cpp -free mymath.F mymath.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1159. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c mymath.f90
  1160. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c mymath.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1161. cpp -free internals.F internals.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1162. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c internals.f90
  1163. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c internals.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1164. cpp -free dynconstr.F dynconstr.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1165. dynconstr.F:517:38: warning: missing terminating ' character
  1166. !c terminate if user didn't provide GAMMA for each atomic type
  1167. ^
  1168. dynconstr.F:1122:15: warning: missing terminating ' character
  1169. !c v'(t+dt)*dt=v(t)*dt+f(t)/(2m)*dt^2
  1170. ^
  1171. dynconstr.F:1125:28: warning: missing terminating ' character
  1172. !c r(t+dt)=r(t)+v'(t+dt)*dt
  1173. ^
  1174. dynconstr.F:1345:28: warning: missing terminating ' character
  1175. !c r(t+dt)=r(t)+v'(t+dt)*dt
  1176. ^
  1177. dynconstr.F:3414:42: warning: missing terminating ' character
  1178. !c terminate if the value doesn't fall into interval (VALUE_MIN,VALUE_MAX)
  1179. ^
  1180. dynconstr.F:3542:17: warning: missing terminating ' character
  1181. !c don't continue if no geometric constraints are defined
  1182. ^
  1183. dynconstr.F:3630:59: warning: missing terminating ' character
  1184. !c terminate with error message if SHAKE doesn't converge in BMITER steps
  1185. ^
  1186. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c dynconstr.f90
  1187. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c dynconstr.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1188. cpp -free dimer_heyden.F dimer_heyden.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1189. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c dimer_heyden.f90
  1190. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c dimer_heyden.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1191. cpp -free dvvtrajectory.F dvvtrajectory.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1192. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c dvvtrajectory.f90
  1193. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c dvvtrajectory.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1194. cpp -free vdwforcefield.F vdwforcefield.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1195. vdwforcefield.F:31:32: warning: missing terminating ' character
  1196. !c forces due to Grimme's potential
  1197. ^
  1198. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c vdwforcefield.f90
  1199. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c vdwforcefield.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1200. cpp -free hamil_high.F hamil_high.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1201. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c hamil_high.f90
  1202. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c hamil_high.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1203. cpp -free nmr.F nmr.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1204. nmr.F:1830:6: warning: missing terminating ' character
  1205. ! isn't this double?
  1206. ^
  1207. nmr.F:3827:72: warning: missing terminating ' character
  1208. CALLMPI( M_sum_d(W%WDES%COMM, MU_PARA_ONE_CTR(1), 3)) ! we don't want this
  1209. ^
  1210. nmr.F:3831:80: warning: missing terminating ' character
  1211. ! the on-site f_ij with the external magnetic moment (see SET_DD_MAGAGOM) doesn't have an augmentation by construction
  1212. ^
  1213. nmr.F:4679:15: warning: missing terminating ' character
  1214. ! we don't obtain the DALTON reference.
  1215. ^
  1216. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c nmr.f90
  1217. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c nmr.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1218. cpp -free pead.F pead.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1219. pead.F:3506:47: warning: missing terminating ' character
  1220. ! and the sum of Im{ln|S(k,k')|}
  1221. ^
  1222. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c pead.f90
  1223. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c pead.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1224. cpp -free mlwf.F mlwf.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1225. mlwf.F:1820:24: warning: missing terminating ' character
  1226. ! but I don't want this conditional statement nested inside
  1227. ^
  1228. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c mlwf.f90
  1229. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c mlwf.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1230. cpp -free subrot.F subrot.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1231. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c subrot.f90
  1232. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c subrot.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1233. cpp -free subrot_scf.F subrot_scf.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1234. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c subrot_scf.f90
  1235. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c subrot_scf.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1236. cpp -free force.F force.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1237. force.F:1414:9: warning: missing terminating ' character
  1238. ! Grimme's force field:
  1239. ^
  1240. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c force.f90
  1241. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c force.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1242. cpp -free pwlhf.F pwlhf.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1243. pwlhf.F:296:65: warning: missing terminating ' character
  1244. ! back to real space to get \int phi_q(r) phi_k(r) / (r-r') d3r
  1245. ^
  1246. pwlhf.F:478:64: warning: missing terminating ' character
  1247. ! V_x is the exact (non local) exchange potential V_x(r,r')
  1248. ^
  1249. pwlhf.F:725:66: warning: missing terminating ' character
  1250. ! since for each complex contribution from bands n,n' a conjugated contribution
  1251. ^
  1252. pwlhf.F:726:28: warning: missing terminating ' character
  1253. ! from bands n'n is added
  1254. ^
  1255. pwlhf.F:1202:73: warning: missing terminating ' character
  1256. ! \int dr' psi*_a(r') psi_b(r') \sum_c psi*_c(r') (V_x psi_c)(r') /
  1257. ^
  1258. pwlhf.F:1205:50: warning: missing terminating ' character
  1259. ! + \int dr' \sum_c psi*_c(r') (V_x psi_c)(r') = 0
  1260. ^
  1261. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c pwlhf.f90
  1262. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c pwlhf.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1263. cpp -free gw_model.F gw_model.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1264. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c gw_model.f90
  1265. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c gw_model.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1266. cpp -free optreal.F optreal.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1267. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c optreal.f90
  1268. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c optreal.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1269. cpp -free davidson.F davidson.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1270. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c davidson.f90
  1271. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c davidson.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1272. cpp -free david_inner.F david_inner.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1273. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c david_inner.f90
  1274. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c david_inner.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1275. cpp -free electron.F electron.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1276. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c electron.f90
  1277. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c electron.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1278. cpp -free rot.F rot.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1279. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c rot.f90
  1280. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c rot.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1281. cpp -free electron_all.F electron_all.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1282. electron_all.F:620:32: warning: missing terminating ' character
  1283. ! possibly we will mix here let's see (does not seem to work)
  1284. ^
  1285. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c electron_all.f90
  1286. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c electron_all.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1287. cpp -free shm.F shm.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1288. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c shm.f90
  1289. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c shm.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1290. cpp -free pardens.F pardens.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1291. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c pardens.f90
  1292. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c pardens.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1293. cpp -free paircorrection.F paircorrection.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1294. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c paircorrection.f90
  1295. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c paircorrection.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1296. cpp -free optics.F optics.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1297. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c optics.f90
  1298. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c optics.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1299. cpp -free constr_cell_relax.F constr_cell_relax.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1300. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c constr_cell_relax.f90
  1301. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c constr_cell_relax.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1302. cpp -free stm.F stm.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1303. stm.F:523:73: warning: missing terminating ' character
  1304. do_io WRITE (IU) CPROJ(1:WDES1%NPRO_TOT) ! OK se NPRO in NIcolas'
  1305. ^
  1306. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c stm.f90
  1307. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c stm.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1308. cpp -free finite_diff.F finite_diff.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1309. finite_diff.F:1648:30: warning: missing terminating ' character
  1310. ! solved equation is D' Y = Y <=> M^-1/2 D M^-1/2 M^1/2 X = M^1/2 X
  1311. ^
  1312. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c finite_diff.f90
  1313. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c finite_diff.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1314. cpp -free elpol.F elpol.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1315. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c elpol.f90
  1316. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c elpol.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1317. cpp -free hamil_lr.F hamil_lr.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1318. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c hamil_lr.f90
  1319. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c hamil_lr.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1320. cpp -free rmm-diis_lr.F rmm-diis_lr.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1321. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c rmm-diis_lr.f90
  1322. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c rmm-diis_lr.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1323. cpp -free subrot_cluster.F subrot_cluster.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1324. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c subrot_cluster.f90
  1325. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c subrot_cluster.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1326. cpp -free subrot_lr.F subrot_lr.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1327. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c subrot_lr.f90
  1328. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c subrot_lr.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1329. cpp -free lr_helper.F lr_helper.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1330. lr_helper.F:93:66: warning: missing terminating ' character
  1331. ! W2%CPROJ_N,nlm += sum_n'l'm' (Q_N,n'l'm',nlm) W1%CPROJ_N,n'l'm'
  1332. ^
  1333. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c lr_helper.f90
  1334. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c lr_helper.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1335. cpp -free hamil_lrf.F hamil_lrf.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1336. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c hamil_lrf.f90
  1337. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c hamil_lrf.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1338. cpp -free elinear_response.F elinear_response.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1339. elinear_response.F:1054:7: warning: missing terminating ' character
  1340. ! that's why this is the preferred option but it does not work
  1341. ^
  1342. elinear_response.F:1299:23: warning: missing terminating ' character
  1343. ! left with <phi(0)_n'k|
  1344. ^
  1345. elinear_response.F:1303:8: warning: missing terminating ' character
  1346. ! sum_n'------------------------------------------------------------
  1347. ^
  1348. elinear_response.F:1304:51: warning: missing terminating ' character
  1349. ! e(0)_nk- e(0)_n'k
  1350. ^
  1351. elinear_response.F:1447:14: warning: missing terminating ' character
  1352. ! W1= sum_n' ------------------------------
  1353. ^
  1354. elinear_response.F:1448:36: warning: missing terminating ' character
  1355. ! e(0)_nk - e(0)_n'k
  1356. ^
  1357. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c elinear_response.f90
  1358. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c elinear_response.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1359. cpp -free ilinear_response.F ilinear_response.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1360. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c ilinear_response.f90
  1361. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c ilinear_response.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1362. cpp -free linear_optics.F linear_optics.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1363. linear_optics.F:26:22: warning: missing terminating ' character
  1364. ! epsilon_q->0(G=0,G'=0,w)
  1365. ^
  1366. linear_optics.F:462:22: warning: missing terminating ' character
  1367. ! epsilon_q->0(G=0,G'=0,w)
  1368. ^
  1369. linear_optics.F:955:6: warning: missing terminating ' character
  1370. ! M' = U+ M U
  1371. ^
  1372. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c linear_optics.f90
  1373. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c linear_optics.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1374. cpp -free linear_response.F linear_response.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1375. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c linear_response.f90
  1376. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c linear_response.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1377. cpp -free setlocalpp.F setlocalpp.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1378. setlocalpp.F:112:13: warning: missing terminating ' character
  1379. !!$ ! Boole's rule
  1380. ^
  1381. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c setlocalpp.f90
  1382. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c setlocalpp.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1383. cpp -free wannier.F wannier.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1384. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c wannier.f90
  1385. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c wannier.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1386. cpp -free electron_OEP.F electron_OEP.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1387. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c electron_OEP.f90
  1388. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c electron_OEP.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1389. cpp -free electron_lhf.F electron_lhf.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1390. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c electron_lhf.f90
  1391. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c electron_lhf.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1392. cpp -free twoelectron4o.F twoelectron4o.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1393. twoelectron4o.F:782:65: warning: missing terminating ' character
  1394. ! back to real space to get \int psi_q(r) psi_k(r) / (r-r') d3r
  1395. ^
  1396. twoelectron4o.F:967:21: warning: missing terminating ' character
  1397. ! EMPTY_MP2_ORBITAL's are skipped when an occupied band is required
  1398. ^
  1399. twoelectron4o.F:986:22: warning: missing terminating ' character
  1400. ! FILLED_MP2_ORBITAL's are skipped when an unoccupied band is required
  1401. ^
  1402. twoelectron4o.F:1241:6: warning: missing terminating ' character
  1403. ! V'(r) =e^(i q r) V(r)
  1404. ^
  1405. twoelectron4o.F:1244:13: warning: missing terminating ' character
  1406. ! \int dr V'(r) e^(-i q (r-R_ion)) Q(r-R_ion)
  1407. ^
  1408. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c twoelectron4o.f90
  1409. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c twoelectron4o.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1410. cpp -free ratpol.F ratpol.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1411. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c ratpol.f90
  1412. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c ratpol.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1413. cpp -free screened_2e.F screened_2e.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1414. screened_2e.F:8:54: warning: missing terminating ' character
  1415. ! which allows to map a set of (k1,q) points onto (k1',k2)
  1416. ^
  1417. screened_2e.F:9:11: warning: missing terminating ' character
  1418. ! where k1' lies in the IRZ
  1419. ^
  1420. screened_2e.F:49:61: warning: missing terminating ' character
  1421. ! \sum_k1 \sum_k2 u_*k1(r) u*_k2(r) F(r,r') u_k1(r') u*_k2(r')
  1422. ^
  1423. screened_2e.F:347:12: warning: missing terminating ' character
  1424. ! int dr dr'
  1425. ^
  1426. screened_2e.F:348:74: warning: missing terminating ' character
  1427. ! phi_k1,nb1(r) phi_k1-q,nb2(r) W(r,r') phi_k1-q,nb2(r') phi_k1,nb1(r')
  1428. ^
  1429. screened_2e.F:450:10: warning: missing terminating ' character
  1430. ! V_(1,1'),2(omega)=
  1431. ^
  1432. screened_2e.F:452:11: warning: missing terminating ' character
  1433. ! where 1' is a state with the same eigenenergy as 1
  1434. ^
  1435. screened_2e.F:1150:75: warning: missing terminating ' character
  1436. ! i/(2 pi) int dw' S2EMAX / (w'+w-e_2 + i delta sign(e_2-mu)) e (id w')
  1437. ^
  1438. screened_2e.F:1170:66: warning: missing terminating ' character
  1439. ! this is the crudest version using a linear interpolation of V(w')
  1440. ^
  1441. screened_2e.F:1237:75: warning: missing terminating ' character
  1442. ! i/(2 pi) int dw' S2EMAX / (w'+w-e_2 + i delta sign(e_2-mu)) e (id w')
  1443. ^
  1444. screened_2e.F:1367:75: warning: missing terminating ' character
  1445. ! i/(2 pi) int dw' S2EMAX / (w'+w-e_2 + i delta sign(e_2-mu)) e (id w')
  1446. ^
  1447. screened_2e.F:1465:75: warning: missing terminating ' character
  1448. ! i/(2 pi) int dw' S2EMAX / (w'+w+i e_2 + delta sign(e_2-mu)) e (-d w')
  1449. ^
  1450. screened_2e.F:1985:11: warning: missing terminating ' character
  1451. ! V_1,2(w')=
  1452. ^
  1453. screened_2e.F:1986:55: warning: missing terminating ' character
  1454. ! sum_G G' (u_1(G') u*_2(G'))* RESPONSEFUN(G',G,w') (u_1(G) u*_2(G))
  1455. ^
  1456. screened_2e.F:2092:33: warning: missing terminating ' character
  1457. ! for state n'
  1458. ^
  1459. screened_2e.F:2094:86: warning: missing terminating ' character
  1460. ! int w' W(w') G(w+w') = int w' W(w') |psi_n'><psi_n'| 1/(w+w'-E_n')
  1461. ^
  1462. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c screened_2e.f90
  1463. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c screened_2e.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1464. cpp -free wave_cacher.F wave_cacher.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1465. wave_cacher.F:456:73: warning: missing terminating ' character
  1466. ! W_1,2(G) = 1/N sum_G' (\sum_r u_1(r) u*_2(r) -iG'r ) RESPONSEFUN(G',G,omega)
  1467. ^
  1468. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c wave_cacher.f90
  1469. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c wave_cacher.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1470. cpp -free chi_base.F chi_base.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1471. chi_base.F:13:58: warning: missing terminating ' character
  1472. ! xi_q(r',r,w) = \sum_1,2 u_1(r) u*_2(r) u*_1(r') u_2(r') (f_1-f_2)
  1473. ^
  1474. chi_base.F:31:21: warning: missing terminating ' character
  1475. ! a perturbation V(r')
  1476. ^
  1477. chi_base.F:87:74: warning: missing terminating ' character
  1478. COMPLEX(q),POINTER :: RESPONSEFUN(:,:,:) ! responsefunctions xi_q(G',G,w)
  1479. ^
  1480. chi_base.F:142:58: warning: missing terminating ' character
  1481. ! xi_q(r',r,w) = \sum_1,2 u_1(r) u*_2(r) u*_1(r') u_2(r') (f_1-f_2)
  1482. ^
  1483. chi_base.F:162:60: warning: missing terminating ' character
  1484. ! 1/N (\sum_r' u_1(r') u*_2(r') e -iG'r')*
  1485. ^
  1486. chi_base.F:169:39: warning: missing terminating ' character
  1487. ! xi(r',r,w) = \sum_q e-i(G'+q)r xi(G'+q,G+q,w) e i(G+q) r
  1488. ^
  1489. chi_base.F:174:16: warning: missing terminating ' character
  1490. ! where G and G' have been interchanged in Xi
  1491. ^
  1492. chi_base.F:385:58: warning: missing terminating ' character
  1493. ! GCHG = (\sum_r' u_1(r') u*_2(r') e-iG'r')
  1494. ^
  1495. chi_base.F:389:58: warning: missing terminating ' character
  1496. ! GCHG = (\sum_r' u_1(r') u*_2(r') e-iG'r')*
  1497. ^
  1498. chi_base.F:437:22: warning: missing terminating ' character
  1499. ! let's decide for the time being to skip them as well
  1500. ^
  1501. chi_base.F:477:68: warning: missing terminating ' character
  1502. ! accumulate 1/N (\sum_r' u_1(r') u*_2(r') e -iG'r')* (\int -ir u_k1,n1(r) u*_k1-q,n2(r))
  1503. ^
  1504. chi_base.F:478:68: warning: missing terminating ' character
  1505. ! 1/N (\sum_r' u_1(r') u*_2(r') e -iG'r')* [(\int u*_k1,n1(r) d/d q u_k1+q,n2(r))*] *
  1506. ^
  1507. chi_base.F:506:39: warning: missing terminating ' character
  1508. ! [\sum_r' (u_1(r') u*_2(r') e -iG'r')* f(e_2-e_1)] \sum_r u_1(r) u*_2(r) e -iGr
  1509. ^
  1510. chi_base.F:684:10: warning: missing terminating ' character
  1511. ! Xi(2)(G'+q,G+q,w) = delta(w+e_1-e_2) (f(e_1) -f(e_2))
  1512. ^
  1513. chi_base.F:688:47: warning: missing terminating ' character
  1514. ! 1/N (\sum_r' u_1(r') u*_2(r') -iG'r')*
  1515. ^
  1516. chi_base.F:699:16: warning: missing terminating ' character
  1517. ! where G and G' have been interchanged in Xi
  1518. ^
  1519. chi_base.F:792:30: warning: missing terminating ' character
  1520. ! set the phase factors q'=k1-k2
  1521. ^
  1522. chi_base.F:885:52: warning: missing terminating ' character
  1523. ! GCHG = (\sum_r' u_1(r') u*_2(r') e-iG'r')*
  1524. ^
  1525. chi_base.F:889:52: warning: missing terminating ' character
  1526. ! GCHG = (\sum_r' u_1(r') u*_2(r') e-iG'r')*
  1527. ^
  1528. chi_base.F:895:46: warning: missing terminating ' character
  1529. ! 1/N (\sum_r' u_1(r') u*_2(r') -iG'r')*
  1530. ^
  1531. chi_base.F:932:68: warning: missing terminating ' character
  1532. ! accumulate 1/N (\sum_r' u_1(r') u*_2(r') e -iG'r')* (\int -ir u_k1,n1(r) u*_k1-q,n2(r))
  1533. ^
  1534. chi_base.F:933:68: warning: missing terminating ' character
  1535. ! 1/N (\sum_r' u_1(r') u*_2(r') e -iG'r')* [(\int u*_k1,n1(r) d/d q u_k1+q,n2(r))*] *
  1536. ^
  1537. chi_base.F:1009:30: warning: missing terminating ' character
  1538. ! RESPONSEFUN(G',G,omega)
  1539. ^
  1540. chi_base.F:1012:21: warning: missing terminating ' character
  1541. ! Xi(G'+q,G+q,omega)
  1542. ^
  1543. chi_base.F:1021:20: warning: missing terminating ' character
  1544. ! mind that G and G' are interchanged in RESPONSEFUN
  1545. ^
  1546. chi_base.F:1144:30: warning: missing terminating ' character
  1547. ! set the phase factors q'=k1-k2
  1548. ^
  1549. chi_base.F:1147:22: warning: missing terminating ' character
  1550. ! unfortunately q'=k1-k2-q might be any reciprocal lattice vector G
  1551. ^
  1552. chi_base.F:1203:53: warning: missing terminating ' character
  1553. ! 1/N \sum_r' u_1(r') u*_2(r') -iG'r'
  1554. ^
  1555. chi_base.F:1286:30: warning: missing terminating ' character
  1556. ! RESPONSEFUN(G',G,omega)
  1557. ^
  1558. chi_base.F:1406:30: warning: missing terminating ' character
  1559. ! set the phase factors q'=k1-k2
  1560. ^
  1561. chi_base.F:1409:22: warning: missing terminating ' character
  1562. ! unfortunately q'=k1-k2-q might be any reciprocal lattice vector G
  1563. ^
  1564. chi_base.F:2032:3: warning: missing terminating ' character
  1565. !i'm the communication node
  1566. ^
  1567. chi_base.F:2087:3: warning: missing terminating ' character
  1568. !i'm the communication node
  1569. ^
  1570. chi_base.F:2438:44: warning: missing terminating ' character
  1571. ! rho(G) = sum_G' RESPONSEFUN_q(G',G,w) V(G')
  1572. ^
  1573. chi_base.F:2441:16: warning: missing terminating ' character
  1574. ! RESPONSEFUN(G',G,w) =
  1575. ^
  1576. chi_base.F:2446:60: warning: missing terminating ' character
  1577. ! 1/N (\sum_r' u_1(r') u*_2(r') e -iG'r')*
  1578. ^
  1579. chi_base.F:2451:47: warning: missing terminating ' character
  1580. ! This yields sum_G' RESPONSEFUN_q(G',G,w) V(G')
  1581. ^
  1582. chi_base.F:2857:41: warning: missing terminating ' character
  1583. ! 1/N \sum_r' u_1(r') u*_2(r') -iG'r'
  1584. ^
  1585. chi_base.F:2965:74: warning: missing terminating ' character
  1586. ! sum_G' RESPONSEFUN(G',G,omega) 1/N \sum_r' u_1(r') u*_2(r') -iG'r'
  1587. ^
  1588. chi_base.F:5094:21: warning: missing terminating ' character
  1589. ! FILLED_XI_ORBITAL's are skipped when an unoccupied band is required
  1590. ^
  1591. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c chi_base.f90
  1592. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c chi_base.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1593. cpp -free wpot.F wpot.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1594. wpot.F:366:49: warning: missing terminating ' character
  1595. ! this version writes the entire matrix WPOT(G,G')
  1596. ^
  1597. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c wpot.f90
  1598. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c wpot.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1599. cpp -free local_field.F local_field.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1600. local_field.F:39:8: warning: missing terminating ' character
  1601. ! T_q(G',G) =
  1602. ^
  1603. local_field.F:48:8: warning: missing terminating ' character
  1604. ! T_q(G',G) =
  1605. ^
  1606. local_field.F:67:13: warning: missing terminating ' character
  1607. ! The term c'_k2+q,n4(r) v_k1,n1(r) might look odd, but using the relation
  1608. ^
  1609. local_field.F:137:72: warning: missing terminating ' character
  1610. ! add to local field effects <c'_k2+q,n4| e i(G'+q)r | v'_k2,n2> kappa_n2,n4 (G)
  1611. ^
  1612. local_field.F:158:70: warning: missing terminating ' character
  1613. ! of the screened potential W(r',r)
  1614. ^
  1615. local_field.F:955:15: warning: missing terminating ' character
  1616. ! q-> of W(q,q')
  1617. ^
  1618. local_field.F:1534:52: warning: missing terminating ' character
  1619. ! the local field effects in DFT depend only on G-G'
  1620. ^
  1621. local_field.F:1542:52: warning: missing terminating ' character
  1622. ! fxc(G,G') = sum_r e^iGr fxc(r) e^ -iG'r = fxc(G'-G)
  1623. ^
  1624. local_field.F:1544:42: warning: missing terminating ' character
  1625. ! we need to go through the array fxc(G,G')
  1626. ^
  1627. local_field.F:1545:63: warning: missing terminating ' character
  1628. ! and determine the corresponding storage position in CWORK (G'-G)
  1629. ^
  1630. local_field.F:1594:53: warning: missing terminating ' character
  1631. ! now determine exchange correlation kernel f_xc(G,G')
  1632. ^
  1633. local_field.F:1670:63: warning: missing terminating ' character
  1634. ! fxc(G,G') = sum_r e^iGr fxc(r) e^ -iG'r = fxc(G'-G)
  1635. ^
  1636. local_field.F:2039:30: warning: missing terminating ' character
  1637. ! set the phase factors q'=k3-k1
  1638. ^
  1639. local_field.F:2042:22: warning: missing terminating ' character
  1640. ! unfortunately q'=k_3-k_1-q might be any reciprocal lattice vector G
  1641. ^
  1642. local_field.F:2146:80: warning: missing terminating ' character
  1643. ! calculate charge <c'_k2+q,n4| e i(G'+q)r | v'_k2,n2> / (e'_k2+q,n4 -e'_k2,n2)
  1644. ^
  1645. local_field.F:2148:60: warning: missing terminating ' character
  1646. ! add to local field effects <c'_k2+q,n4| e i(G'+q)r | v'_k2,n2> kappa_n2,n4 (G)
  1647. ^
  1648. local_field.F:2223:30: warning: missing terminating ' character
  1649. ! set the phase factors q'=k4-k1
  1650. ^
  1651. local_field.F:2226:22: warning: missing terminating ' character
  1652. ! unfortunately q'=k_4-k_2-q might be any reciprocal lattice vector G
  1653. ^
  1654. local_field.F:2483:5: warning: missing terminating ' character
  1655. ! v'*_k2,n2(r), v_k1,n1(r)
  1656. ^
  1657. local_field.F:2502:49: warning: missing terminating ' character
  1658. ! now we have v'*_k2,n2(r'), v_k1,n1(r')
  1659. ^
  1660. local_field.F:2535:30: warning: missing terminating ' character
  1661. ! set the phase factors q'=k3-k4
  1662. ^
  1663. local_field.F:2691:19: warning: missing terminating ' character
  1664. ! the charge c'_k4,n4(r) v_k1,n1(r)
  1665. ^
  1666. local_field.F:2717:6: warning: missing terminating ' character
  1667. ! c'*_k4,n4(r) v*_k1,n1(r)
  1668. ^
  1669. local_field.F:2775:33: warning: missing terminating ' character
  1670. ! set the phase factors q'=-k3-k2
  1671. ^
  1672. local_field.F:2779:31: warning: missing terminating ' character
  1673. ! c*_k3,n3(r') v'*_k2,n2(r')
  1674. ^
  1675. local_field.F:2801:53: warning: missing terminating ' character
  1676. ! now we have c_k3,n3(r') v'_k2,n2(r')
  1677. ^
  1678. local_field.F:2807:65: warning: missing terminating ' character
  1679. ! conjugate now to get: c*_k3,n3(r') v'*_k2,n2(r')
  1680. ^
  1681. local_field.F:2924:19: warning: missing terminating ' character
  1682. ! the charge c'_k4,n4(r) v_k1,n1(r)
  1683. ^
  1684. local_field.F:2951:6: warning: missing terminating ' character
  1685. ! c'*_k4,n4(r) v*_k1,n1(r)
  1686. ^
  1687. local_field.F:3013:33: warning: missing terminating ' character
  1688. ! set the phase factors q'=-k3-k2
  1689. ^
  1690. local_field.F:3021:31: warning: missing terminating ' character
  1691. ! c*_k3,n3(r') v'*_k2,n2(r')
  1692. ^
  1693. local_field.F:3043:53: warning: missing terminating ' character
  1694. ! now we have c_k3,n3(r') v'_k2,n2(r')
  1695. ^
  1696. local_field.F:3049:65: warning: missing terminating ' character
  1697. ! conjugate now to get: c*_k3,n3(r') v'*_k2,n2(r')
  1698. ^
  1699. local_field.F:3207:19: warning: missing terminating ' character
  1700. ! the charge c'_k4,n4(r) v_k1,n1(r)
  1701. ^
  1702. local_field.F:3232:7: warning: missing terminating ' character
  1703. ! c*'_k4,n4(r) v_k1,n1(r)
  1704. ^
  1705. local_field.F:3290:33: warning: missing terminating ' character
  1706. ! set the phase factors q'=-k3-k2
  1707. ^
  1708. local_field.F:3294:30: warning: missing terminating ' character
  1709. ! c_k3,n3(r') v'*_k2,n2(r')
  1710. ^
  1711. local_field.F:3316:54: warning: missing terminating ' character
  1712. ! now we have c_k3,n3(r') v'*_k2,n2(r')
  1713. ^
  1714. local_field.F:3454:19: warning: missing terminating ' character
  1715. ! the charge c'_k4,n4(r) v_k1,n1(r)
  1716. ^
  1717. local_field.F:3518:72: warning: missing terminating ' character
  1718. ! back to real space to get \int psi_q(r) psi_k(r) / (r-r') d3r
  1719. ^
  1720. local_field.F:3539:33: warning: missing terminating ' character
  1721. ! set the phase factors q'=k2-k4
  1722. ^
  1723. local_field.F:3711:19: warning: missing terminating ' character
  1724. ! the charge c'_k4,n4(r) v_k1,n1(r)
  1725. ^
  1726. local_field.F:3776:72: warning: missing terminating ' character
  1727. ! back to real space to get \int psi_q(r) psi_k(r) / (r-r') d3r
  1728. ^
  1729. local_field.F:3797:33: warning: missing terminating ' character
  1730. ! set the phase factors q'=k2-k4
  1731. ^
  1732. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c local_field.f90
  1733. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c local_field.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1734. cpp -free ump2.F ump2.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1735. ump2.F:894:19: warning: missing terminating ' character
  1736. ! the charge c'_k4,n4(r) v_k1,n1(r)
  1737. ^
  1738. ump2.F:926:7: warning: missing terminating ' character
  1739. ! c*'_k4,n4(r) v_k1,n1(r)
  1740. ^
  1741. ump2.F:980:33: warning: missing terminating ' character
  1742. ! set the phase factors q'=-k3-k2
  1743. ^
  1744. ump2.F:984:30: warning: missing terminating ' character
  1745. ! c_k3,n3(r') v'*_k2,n2(r')
  1746. ^
  1747. ump2.F:1014:54: warning: missing terminating ' character
  1748. ! now we have c_k3,n3(r') v'*_k2,n2(r')
  1749. ^
  1750. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c ump2.f90
  1751. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c ump2.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1752. cpp -free bse_te.F bse_te.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1753. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c bse_te.f90
  1754. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c bse_te.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1755. cpp -free bse.F bse.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1756. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c bse.f90
  1757. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c bse.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1758. cpp -free acfdt.F acfdt.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1759. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c acfdt.f90
  1760. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c acfdt.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1761. cpp -free chi.F chi.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1762. chi.F:1046:33: warning: missing terminating ' character
  1763. ! ) using a BSE derived f_xc(r,r') (see local_field.F)
  1764. ^
  1765. chi.F:1327:63: warning: missing terminating ' character
  1766. ! xi(w) prop int 1/ (w-w'+ i delta) + 1/ (-w-w'+ i delta) dw'
  1767. ^
  1768. chi.F:1328:60: warning: missing terminating ' character
  1769. ! prop int (w'-i delta) / ((w'-i delta)^2 + w^2) dw'
  1770. ^
  1771. chi.F:1385:46: warning: missing terminating ' character
  1772. ! this simplifies the calculation of Xi_q(r,r',w) since
  1773. ^
  1774. chi.F:3558:56: warning: missing terminating ' character
  1775. ! 1- 4 pi e^2/ (2 pi)^2 |G+q| |G'+q'| RESPONSEFUN(G, G')
  1776. ^
  1777. chi.F:3560:48: warning: missing terminating ' character
  1778. ! this follows from the fact that the indices G' have been obtained
  1779. ^
  1780. chi.F:3562:42: warning: missing terminating ' character
  1781. ! 1/N \sum_r' u*_k+q(r') u_k(r') e iG'r'
  1782. ^
  1783. chi.F:3565:55: warning: missing terminating ' character
  1784. ! chi(r',G) = sum_G' RESPONSEFUN(G', G) e i(-G'-q)r'
  1785. ^
  1786. chi.F:3640:55: warning: missing terminating ' character
  1787. ! 4 pi e^2/ (2 pi)^2 |G+q| |G'+q'| RESPONSEFUN(G, G')
  1788. ^
  1789. chi.F:3695:49: warning: missing terminating ' character
  1790. ! RESPONSEFUN(G, G') 4 pi e^2/ (2 pi)^2 |G'+q'|^2
  1791. ^
  1792. chi.F:3816:20: warning: missing terminating ' character
  1793. ! using x' = epsilon-1/2 x
  1794. ^
  1795. chi.F:3817:84: warning: missing terminating ' character
  1796. ! the usual Poisson equation is obtained (laplace' V(x') = 4 pi e^2 rho(x'))
  1797. ^
  1798. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c chi.f90
  1799. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c chi.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1800. cpp -free sydmat.F sydmat.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1801. sydmat.F:234:46: warning: missing terminating ' character
  1802. ! not yet been generated previously (or can't be composed out of a *
  1803. ^
  1804. sydmat.F:395:7: warning: missing terminating ' character
  1805. ! That's all ... . Bye!
  1806. ^
  1807. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c sydmat.f90
  1808. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c sydmat.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1809. cpp -free dmft.F dmft.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1810. dmft.F:934:57: warning: missing terminating ' character
  1811. LOGICAL :: LFULL ! read W(G+q,G'+q) or just the diagonal part
  1812. ^
  1813. dmft.F:1016:35: warning: missing terminating ' character
  1814. ! w_k4,n4(r) w*_k1,n1(r) W(r,r')
  1815. ^
  1816. dmft.F:1055:48: warning: missing terminating ' character
  1817. ! now we have w_k3,n3(r') w'*_k2,n2(r')
  1818. ^
  1819. dmft.F:1065:42: warning: missing terminating ' character
  1820. ! w_k3,n3(r') w*_k2,n2(r') x W(r',r) w_k4,n4(r) w*_k1,n1(r)
  1821. ^
  1822. dmft.F:1068:21: warning: missing terminating ' character
  1823. ! GCHG14 = W(r',r) w*_k4,n4(r) w_k1,n1(r),
  1824. ^
  1825. dmft.F:1430:36: warning: missing terminating ' character
  1826. ! w_k4,n4(r') w*_k1,n1(r') W_(r',r) sum_k1 w_k4,n4(r) w*_k1,n1(r)
  1827. ^
  1828. dmft.F:1433:51: warning: missing terminating ' character
  1829. ! N.B.: we have actually constructed GCHG23 = W(r',r) w*_k4,n4(r) w_k1,n1(r)
  1830. ^
  1831. dmft.F:1921:36: warning: missing terminating ' character
  1832. ! w_k4,n4(r') w*_k1,n1(r') W_(r',r) sum_k1 w_k4,n4(r) w*_k1,n1(r)
  1833. ^
  1834. dmft.F:1924:51: warning: missing terminating ' character
  1835. ! N.B.: we have actually constructed GCHG23 = W(r',r) w*_k4,n4(r) w_k1,n1(r)
  1836. ^
  1837. dmft.F:2244:16: warning: missing terminating ' character
  1838. ! sum_nn' (f_1-f_4)
  1839. ^
  1840. dmft.F:2252:4: warning: missing terminating ' character
  1841. ! n'........band of k-point k4
  1842. ^
  1843. dmft.F:2590:24: warning: missing terminating ' character
  1844. ! FILLED_PIJKL_ORBITAL's are skipped when an unoccupied band is required
  1845. ^
  1846. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c dmft.f90
  1847. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c dmft.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1848. cpp -free rmm-diis_mlr.F rmm-diis_mlr.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1849. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c rmm-diis_mlr.f90
  1850. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c rmm-diis_mlr.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1851. cpp -free linear_response_NMR.F linear_response_NMR.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1852. linear_response_NMR.F:647:21: warning: missing terminating ' character
  1853. ! let's do a bit of Davidson optimization
  1854. ^
  1855. linear_response_NMR.F:674:18: warning: missing terminating ' character
  1856. ! let's start the linear response stuff to get the contribution | psi^(1e) >
  1857. ^
  1858. linear_response_NMR.F:1146:21: warning: missing terminating ' character
  1859. ! let's do a bit of Davidson optimization
  1860. ^
  1861. linear_response_NMR.F:1172:18: warning: missing terminating ' character
  1862. ! let's start the linear response stuff to get the contribution | psi^(1e) >
  1863. ^
  1864. linear_response_NMR.F:1925:58: warning: missing terminating ' character
  1865. ! W0_1 points to elements of W0, we don't want to destroy them so we
  1866. ^
  1867. linear_response_NMR.F:2203:58: warning: missing terminating ' character
  1868. ! W0_1 points to elements of W0, we don't want to destroy them so we
  1869. ^
  1870. linear_response_NMR.F:3639:103: warning: missing terminating ' character
  1871. CSUM=WGKPQ%CW(I,NB,NK,ISP)*GC*CONJG(W%CW(I,NB,NK,ISP)) !*(0._q,1._q) ! Gilles doesn't understand the i
  1872. ^
  1873. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O3 -c linear_response_NMR.f90
  1874. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O3 -c linear_response_NMR.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1875. cpp -free main.F main.f90 -DHOST=\"gfortran\" -DCACHE_SIZE=4096 -DMINLOOP=1 -DNGXhalf
  1876. main.F:144:15: warning: missing terminating ' character
  1877. ! Thomas Bucko's code contributions
  1878. ^
  1879. main.F:2490:77: warning: missing terminating ' character
  1880. ! stop execution of VASP (wave functions have been messed up so let's quit)
  1881. ^
  1882. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -O0 -c main.f90
  1883. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -O0 -c main.f90 -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib
  1884. rm -f vasp
  1885. mpifort -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include --showme -o vasp main.o base.o mpi.o smart_allocate.o xml.o constant.o jacobi.o main_mpi.o scala.o asa.o lattice.o poscar.o ini.o mgrid.o xclib.o vdw_nl.o xclib_grad.o radial.o pseudo.o gridq.o ebs.o mkpoints.o wave.o wave_mpi.o wave_high.o symmetry.o symlib.o lattlib.o random.o nonl.o nonlr.o nonl_high.o dfast.o choleski2.o mix.o hamil.o xcgrad.o xcspin.o potex1.o potex2.o constrmag.o cl_shift.o relativistic.o LDApU.o paw_base.o metagga.o egrad.o pawsym.o pawfock.o pawlhf.o rhfatm.o paw.o mkpoints_full.o charge.o Lebedev-Laikov.o stockholder.o dipol.o pot.o dos.o elf.o tet.o tetweight.o hamil_rot.o steep.o chain.o dyna.o sphpro.o us.o core_rel.o aedens.o wavpre.o wavpre_noio.o broyden.o dynbr.o rmm-diis.o reader.o writer.o tutor.o xml_writer.o brent.o stufak.o fileio.o opergrid.o stepver.o chgloc.o fast_aug.o fock.o mkpoints_change.o sym_grad.o mymath.o internals.o dynconstr.o dimer_heyden.o dvvtrajectory.o vdwforcefield.o hamil_high.o nmr.o pead.o mlwf.o subrot.o subrot_scf.o force.o pwlhf.o gw_model.o optreal.o davidson.o david_inner.o electron.o rot.o electron_all.o shm.o pardens.o paircorrection.o optics.o constr_cell_relax.o stm.o finite_diff.o elpol.o hamil_lr.o rmm-diis_lr.o subrot_cluster.o subrot_lr.o lr_helper.o hamil_lrf.o elinear_response.o ilinear_response.o linear_optics.o linear_response.o setlocalpp.o wannier.o electron_OEP.o electron_lhf.o twoelectron4o.o ratpol.o screened_2e.o wave_cacher.o chi_base.o wpot.o local_field.o ump2.o bse_te.o bse.o acfdt.o chi.o sydmat.o dmft.o rmm-diis_mlr.o linear_response_NMR.o /opt/fftw-3.3.5/lib/libfftw3.a -fall-intrinsics -L../vasp.5.lib -ldmy /opt/scalapack-2.0.2/libscalapack.a /opt/OpenBLAS-0.2.18/libopenblas.a
  1886. gfortran -ffree-form -ffree-line-length-0 -ff2c -fno-second-underscore -I/opt/fftw-3.3.5/include -o vasp main.o base.o mpi.o smart_allocate.o xml.o constant.o jacobi.o main_mpi.o scala.o asa.o lattice.o poscar.o ini.o mgrid.o xclib.o vdw_nl.o xclib_grad.o radial.o pseudo.o gridq.o ebs.o mkpoints.o wave.o wave_mpi.o wave_high.o symmetry.o symlib.o lattlib.o random.o nonl.o nonlr.o nonl_high.o dfast.o choleski2.o mix.o hamil.o xcgrad.o xcspin.o potex1.o potex2.o constrmag.o cl_shift.o relativistic.o LDApU.o paw_base.o metagga.o egrad.o pawsym.o pawfock.o pawlhf.o rhfatm.o paw.o mkpoints_full.o charge.o Lebedev-Laikov.o stockholder.o dipol.o pot.o dos.o elf.o tet.o tetweight.o hamil_rot.o steep.o chain.o dyna.o sphpro.o us.o core_rel.o aedens.o wavpre.o wavpre_noio.o broyden.o dynbr.o rmm-diis.o reader.o writer.o tutor.o xml_writer.o brent.o stufak.o fileio.o opergrid.o stepver.o chgloc.o fast_aug.o fock.o mkpoints_change.o sym_grad.o mymath.o internals.o dynconstr.o dimer_heyden.o dvvtrajectory.o vdwforcefield.o hamil_high.o nmr.o pead.o mlwf.o subrot.o subrot_scf.o force.o pwlhf.o gw_model.o optreal.o davidson.o david_inner.o electron.o rot.o electron_all.o shm.o pardens.o paircorrection.o optics.o constr_cell_relax.o stm.o finite_diff.o elpol.o hamil_lr.o rmm-diis_lr.o subrot_cluster.o subrot_lr.o lr_helper.o hamil_lrf.o elinear_response.o ilinear_response.o linear_optics.o linear_response.o setlocalpp.o wannier.o electron_OEP.o electron_lhf.o twoelectron4o.o ratpol.o screened_2e.o wave_cacher.o chi_base.o wpot.o local_field.o ump2.o bse_te.o bse.o acfdt.o chi.o sydmat.o dmft.o rmm-diis_mlr.o linear_response_NMR.o /opt/fftw-3.3.5/lib/libfftw3.a -fall-intrinsics -L../vasp.5.lib -ldmy /opt/scalapack-2.0.2/libscalapack.a /opt/OpenBLAS-0.2.18/libopenblas.a -I/opt/openmpi-2.0.1/include -pthread -I/opt/openmpi-2.0.1/lib -Wl,-rpath -Wl,/opt/openmpi-2.0.1/lib -Wl,--enable-new-dtags -L/opt/openmpi-2.0.1/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lopen-rte -lopen-pal -lm -lrt -lutil
  1887. ]0;root@vb: /opt/vasp.5.3.2root@vb:/opt/vasp.5.3.2# exit
  1888. exit
  1889.  
  1890. Script done on ‫دوشنبه ۱۴ نوامبر ۱۶، ۲۲:۴۱:۴۹‬
Advertisement
Add Comment
Please, Sign In to add comment
Advertisement
Public Pastes
Advertisement
We use cookies for various purposes including analytics. By continuing to use Pastebin, you agree to our use of cookies as described in the Cookies Policy.  OK, I Understand
Not a member of Pastebin yet?
Sign Up, it unlocks many cool features!