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  1. Starting installation of Amber9 (parallel) at Wed Sep 8 14:18:04 CEST 2010.
  2. cd sander; make parallel
  3. make[1]: Entering directory `/struct/software/linux/amber-9/src/sander'
  4. ./checkparconf
  5. cd ../lib; make sys.a
  6. make[2]: Entering directory `/struct/software/linux/amber-9/src/lib'
  7. make[2]: `sys.a' is up to date.
  8. make[2]: Leaving directory `/struct/software/linux/amber-9/src/lib'
  9. cd ../lib; make nxtsec.o
  10. make[2]: Entering directory `/struct/software/linux/amber-9/src/lib'
  11. make[2]: `nxtsec.o' is up to date.
  12. make[2]: Leaving directory `/struct/software/linux/amber-9/src/lib'
  13. cd ../lapack; make
  14. make[2]: Entering directory `/struct/software/linux/amber-9/src/lapack'
  15. Makefile:7: warning: overriding commands for target `.f.o'
  16. ../config.h:82: warning: ignoring old commands for target `.f.o'
  17. ar rv lapack.a dsyev.o dsygv.o dlansy.o dsytrd.o dorgtr.o dsteqr.o dsterf.o dlascl.o dlamch.o xerbla.o ilaenv.o dlassq.o dsytd2.o dlatrd.o dorgql.o dorgqr.o dlasrt.o dlaset.o dlanst.o dlaev2.o dlasr.o dlapy2.o dlartg.o dlae2.o dorg2r.o dlarft.o dlarfb.o dorg2l.o dlarfg.o dlarf.o dspev.o dlansp.o dsptrd.o dopgtr.o dppsv.o dspsv.o dgeev.o dsptrs.o dsptrf.o dpptrs.o dpptrf.o dgebak.o dtrevc.o dlacpy.o dhseqr.o dorghr.o dgehrd.o dgebal.o dlange.o dlabad.o dlahqr.o dlarfx.o dlanhs.o dlaln2.o dgehd2.o dlahrd.o dlanv2.o dladiv.o dgerq2.o dorm2r.o dlarnv.o dgeqr2.o dlaruv.o dspevd.o dstedc.o dopmtr.o dlaed0.o dlaed1.o dlaed7.o dlaeda.o dlaed8.o dlaed9.o dlamrg.o dlaed2.o dlaed3.o dpotrf.o dsygst.o dpotf2.o dsygs2.o dlaebz.o dlagtf.o dlagts.o dormqr.o dormql.o dorm2l.o dlaed4.o dlaed5.o dlaed6.o ieeeck.o dsyevx.o dsyevd.o dstebz.o dstein.o dormtr.o zheev.o lsame.o zlanhe.o zlascl.o zhetrd.o zungtr.o zsteqr.o zlassq.o zlatrd.o zhetd2.o zungql.o zungqr.o zlasr.o zlaset.o zlacgv.o zlarfg.o zung2l.o zlarft.o zlarfb.o zung2r.o dlapy3.o zladiv.o zlarf.o
  18. r - dsyev.o
  19. r - dsygv.o
  20. r - dlansy.o
  21. r - dsytrd.o
  22. r - dorgtr.o
  23. r - dsteqr.o
  24. r - dsterf.o
  25. r - dlascl.o
  26. r - dlamch.o
  27. r - xerbla.o
  28. r - ilaenv.o
  29. r - dlassq.o
  30. r - dsytd2.o
  31. r - dlatrd.o
  32. r - dorgql.o
  33. r - dorgqr.o
  34. r - dlasrt.o
  35. r - dlaset.o
  36. r - dlanst.o
  37. r - dlaev2.o
  38. r - dlasr.o
  39. r - dlapy2.o
  40. r - dlartg.o
  41. r - dlae2.o
  42. r - dorg2r.o
  43. r - dlarft.o
  44. r - dlarfb.o
  45. r - dorg2l.o
  46. r - dlarfg.o
  47. r - dlarf.o
  48. r - dspev.o
  49. r - dlansp.o
  50. r - dsptrd.o
  51. r - dopgtr.o
  52. r - dppsv.o
  53. r - dspsv.o
  54. r - dgeev.o
  55. r - dsptrs.o
  56. r - dsptrf.o
  57. r - dpptrs.o
  58. r - dpptrf.o
  59. r - dgebak.o
  60. r - dtrevc.o
  61. r - dlacpy.o
  62. r - dhseqr.o
  63. r - dorghr.o
  64. r - dgehrd.o
  65. r - dgebal.o
  66. r - dlange.o
  67. r - dlabad.o
  68. r - dlahqr.o
  69. r - dlarfx.o
  70. r - dlanhs.o
  71. r - dlaln2.o
  72. r - dgehd2.o
  73. r - dlahrd.o
  74. r - dlanv2.o
  75. r - dladiv.o
  76. r - dgerq2.o
  77. r - dorm2r.o
  78. r - dlarnv.o
  79. r - dgeqr2.o
  80. r - dlaruv.o
  81. r - dspevd.o
  82. r - dstedc.o
  83. r - dopmtr.o
  84. r - dlaed0.o
  85. r - dlaed1.o
  86. r - dlaed7.o
  87. r - dlaeda.o
  88. r - dlaed8.o
  89. r - dlaed9.o
  90. r - dlamrg.o
  91. r - dlaed2.o
  92. r - dlaed3.o
  93. r - dpotrf.o
  94. r - dsygst.o
  95. r - dpotf2.o
  96. r - dsygs2.o
  97. r - dlaebz.o
  98. r - dlagtf.o
  99. r - dlagts.o
  100. r - dormqr.o
  101. r - dormql.o
  102. r - dorm2l.o
  103. r - dlaed4.o
  104. r - dlaed5.o
  105. r - dlaed6.o
  106. r - ieeeck.o
  107. r - dsyevx.o
  108. r - dsyevd.o
  109. r - dstebz.o
  110. r - dstein.o
  111. r - dormtr.o
  112. r - zheev.o
  113. r - lsame.o
  114. r - zlanhe.o
  115. r - zlascl.o
  116. r - zhetrd.o
  117. r - zungtr.o
  118. r - zsteqr.o
  119. r - zlassq.o
  120. r - zlatrd.o
  121. r - zhetd2.o
  122. r - zungql.o
  123. r - zungqr.o
  124. r - zlasr.o
  125. r - zlaset.o
  126. r - zlacgv.o
  127. r - zlarfg.o
  128. r - zung2l.o
  129. r - zlarft.o
  130. r - zlarfb.o
  131. r - zung2r.o
  132. r - dlapy3.o
  133. r - zladiv.o
  134. r - zlarf.o
  135. ranlib lapack.a
  136. make[2]: Leaving directory `/struct/software/linux/amber-9/src/lapack'
  137. cd ../blas; make
  138. make[2]: Entering directory `/struct/software/linux/amber-9/src/blas'
  139. Makefile:7: warning: overriding commands for target `.f.o'
  140. ../config.h:82: warning: ignoring old commands for target `.f.o'
  141. ar rv blas.a dasum.o daxpy.o dcabs1.o dcopy.o ddot.o dgbmv.o dgemm.o dgemv.o dger.o dnrm2.o drot.o drotg.o dsbmv.o dscal.o dspmv.o dspr.o dspr2.o dswap.o dsymm.o dsymv.o dsyr.o dsyr2.o dsyr2k.o dsyrk.o dtbmv.o dtbsv.o dtpmv.o dtpsv.o dtrmm.o dtrmv.o dtrsm.o dtrsv.o dummy.o dzasum.o dznrm2.o idamax.o isamax.o lsame.o scopy.o sswap.o sscal.o sasum.o snrm2.o sdot.o ssyr2k.o saxpy.o sgemv.o ssyr2.o ssymv.o sgemm.o strmm.o strmv.o sger.o zher2k.o zswap.o zgemv.o zhemv.o zscal.o zdotc.o zaxpy.o zher2.o zdscal.o ztrmv.o zcopy.o ztrmm.o zgemm.o zgerc.o
  142. r - dasum.o
  143. r - daxpy.o
  144. r - dcabs1.o
  145. r - dcopy.o
  146. r - ddot.o
  147. r - dgbmv.o
  148. r - dgemm.o
  149. r - dgemv.o
  150. r - dger.o
  151. r - dnrm2.o
  152. r - drot.o
  153. r - drotg.o
  154. r - dsbmv.o
  155. r - dscal.o
  156. r - dspmv.o
  157. r - dspr.o
  158. r - dspr2.o
  159. r - dswap.o
  160. r - dsymm.o
  161. r - dsymv.o
  162. r - dsyr.o
  163. r - dsyr2.o
  164. r - dsyr2k.o
  165. r - dsyrk.o
  166. r - dtbmv.o
  167. r - dtbsv.o
  168. r - dtpmv.o
  169. r - dtpsv.o
  170. r - dtrmm.o
  171. r - dtrmv.o
  172. r - dtrsm.o
  173. r - dtrsv.o
  174. r - dummy.o
  175. r - dzasum.o
  176. r - dznrm2.o
  177. r - idamax.o
  178. r - isamax.o
  179. r - lsame.o
  180. r - scopy.o
  181. r - sswap.o
  182. r - sscal.o
  183. r - sasum.o
  184. r - snrm2.o
  185. r - sdot.o
  186. r - ssyr2k.o
  187. r - saxpy.o
  188. r - sgemv.o
  189. r - ssyr2.o
  190. r - ssymv.o
  191. r - sgemm.o
  192. r - strmm.o
  193. r - strmv.o
  194. r - sger.o
  195. r - zher2k.o
  196. r - zswap.o
  197. r - zgemv.o
  198. r - zhemv.o
  199. r - zscal.o
  200. r - zdotc.o
  201. r - zaxpy.o
  202. r - zher2.o
  203. r - zdscal.o
  204. r - ztrmv.o
  205. r - zcopy.o
  206. r - ztrmm.o
  207. r - zgemm.o
  208. r - zgerc.o
  209. ranlib blas.a
  210. make[2]: Leaving directory `/struct/software/linux/amber-9/src/blas'
  211. cd ../lmod; make
  212. make[2]: Entering directory `/struct/software/linux/amber-9/src/lmod'
  213. cd xmin; make
  214. make[3]: Entering directory `/struct/software/linux/amber-9/src/lmod/xmin'
  215. Makefile:6: warning: overriding commands for target `.f.o'
  216. ../../config.h:82: warning: ignoring old commands for target `.f.o'
  217. make[3]: Nothing to be done for `install'.
  218. make[3]: Leaving directory `/struct/software/linux/amber-9/src/lmod/xmin'
  219. cd lmod; make
  220. make[3]: Entering directory `/struct/software/linux/amber-9/src/lmod/lmod'
  221. Makefile:6: warning: overriding commands for target `.f.o'
  222. ../../config.h:82: warning: ignoring old commands for target `.f.o'
  223. make[3]: Nothing to be done for `install'.
  224. make[3]: Leaving directory `/struct/software/linux/amber-9/src/lmod/lmod'
  225. ar rv lmod.a xmin/*.o lmod/*.o
  226. r - xmin/xmin.o
  227. r - lmod/lmod.o
  228. ranlib lmod.a
  229. make[2]: Leaving directory `/struct/software/linux/amber-9/src/lmod'
  230. cd ../lmod; cp lmodprmtop ../../exe; chmod 0755 ../../exe/lmodprmtop
  231. gfortran -ffree-form -o sander.MPI evb_vars.o evb_input.o evb_init.o evb_alloc.o evb_dealloc.o check_input.o evb_io.o evb_keywrd.o exchange_CM.o evb_mcp.o evb_force.o diabatic.o evb_2stdebug.o egap_umb_2stdebug.o exchange_gauss.o exchange_warshel.o morsify.o morse_anal2num.o evb_matrix.o evb_ntrfc.o out_evb.o constants.o stack.o qmmm_module.o trace.o lmod.o decomp.o icosasurf.o egb.o findmask.o pb_force.o pb_exmol.o pb_mpfrc.o pb_direct.o pb_list.o np_force.o sa_driver.o relax_mat.o nmr.o multisander.o sander.o trajene.o cshf.o nmrcal.o pearsn.o printe.o runmin.o rdparm.o mdread.o locmem.o runmd.o getcor.o degcnt.o decnvh.o fastwt.o parallel.o shake.o ene.o mdwrit.o minrit.o set.o dynlib.o mdfil.o nmlsrc.o ew_force.o ew_setup.o ew_box.o ew_bspline.o ew_fft.o nonbond_list.o short_ene.o ew_recip.o pcshift.o align.o rfree.o rgroup.o random.o amopen.o debug.o ew_recip_reg.o ew_handle_dips.o ew_dipole_recip.o mexit.o new_time.o extra_pts.o thermo_int.o matinv.o assert.o mmtsb.o mmtsb_client.o erfcfun.o veclib.o is_init.o constantph.o prn_dipoles.o ips.o sglds.o amoeba_valence.o amoeba_multipoles.o amoeba_recip.o amoeba_interface.o amoeba_direct.o amoeba_mdin.o amoeba_adjust.o amoeba_self.o amoeba_vdw.o amoeba_induced.o amoeba_runmd.o bintraj.o spatial_recip.o spatial_fft.o parms.o qm_mm.o qm_link_atoms.o qm_nb_list.o qm_extract_coords.o qm_ewald.o qm_gb.o qm_zero_charges.o qm_print_info.o qm_assign_atom_types.o qm2_allocate_e_repul.o qm2_calc_charges.o qm2_calc_rij_and_eqns.o qm2_dihed.o qm2_energy.o qm2_fock.o qm2_get_qm_forces.o qm2_get_qmmm_forces.o qm2_h1elec.o qm2_hcore_qmqm.o qm2_hcore_qmmm.o qm2_identify_peptide_links.o qm2_load_params_and_allocate.o qm2_repp.o qm2_rotate_qmqm.o qm2_scf.o qm2_setup_orb_exp.o qm2_smallest_number.o qm2_dftb_module.o qm2_dftb_broyden.o qm2_dftb_dispersion_egr.o qm2_dftb_dispersion_params.o qm2_dftb_dispersionread.o qm2_dftb_eglcao.o qm2_dftb_energy.o qm2_dftb_ewevge.o qm2_dftb_externalchgrad.o qm2_dftb_externalshift.o qm2_dftb_fermi.o qm2_dftb_forces.o qm2_dftb_gamma.o qm2_dftb_gammamat.o qm2_dftb_get_qmmm_forces.o qm2_dftb_gettab.o qm2_dftb_load_params.o qm2_dftb_long_range.o qm2_dftb_main.o qm2_dftb_my_gradient.o qm2_dftb_my_mulliken.o qm2_dftb_repulsiv.o qm2_dftb_self.o qm2_dftb_shift.o qm2_dftb_short_range.o qm2_dftb_skpar.o qm2_dftb_slkode.o qm2_dftb_slktrafo.o \
  232. qm_div.o force.o \
  233. ../lmod/lmod.a ../lapack/lapack.a ../blas/blas.a \
  234. ../lib/nxtsec.o ../lib/sys.a -L/usr/lib -L/usr/lib64 -llammpio -llamf77mpi -lmpi -llam -laio -laio -lutil -ldl -lpthread
  235. /usr/bin/ld: skipping incompatible /usr/lib/libutil.so when searching for -lutil
  236. /usr/bin/ld: skipping incompatible /usr/lib/libutil.a when searching for -lutil
  237. /usr/bin/ld: skipping incompatible /usr/lib/libdl.so when searching for -ldl
  238. /usr/bin/ld: skipping incompatible /usr/lib/libdl.a when searching for -ldl
  239. /usr/bin/ld: skipping incompatible /usr/lib/libpthread.so when searching for -lpthread
  240. /usr/bin/ld: skipping incompatible /usr/lib/libpthread.a when searching for -lpthread
  241. /usr/bin/ld: skipping incompatible /usr/lib/libm.so when searching for -lm
  242. /usr/bin/ld: skipping incompatible /usr/lib/libm.a when searching for -lm
  243. /usr/bin/ld: skipping incompatible /usr/lib/libc.so when searching for -lc
  244. /usr/bin/ld: skipping incompatible /usr/lib/libc.a when searching for -lc
  245. evb_init.o(.text+0x508): In function `evb_init_':
  246. : undefined reference to `mpi_bcast_'
  247. evb_init.o(.text+0x52e): In function `evb_init_':
  248. : undefined reference to `mpi_bcast_'
  249. evb_init.o(.text+0xb84): In function `evb_init_':
  250. : undefined reference to `mpi_bcast_'
  251. evb_init.o(.text+0xca9): In function `evb_init_':
  252. : undefined reference to `mpi_bcast_'
  253. evb_init.o(.text+0xdef): In function `evb_init_':
  254. : undefined reference to `mpi_bcast_'
  255. evb_init.o(.text+0xf11): more undefined references to `mpi_bcast_' follow
  256. qmmm_module.o(.text+0x1322): In function `__qmmm_module__qmmm_mpi_setup':
  257. : undefined reference to `mpi_send_'
  258. qmmm_module.o(.text+0x1575): In function `__qmmm_module__qmmm_mpi_setup':
  259. : undefined reference to `mpi_recv_'
  260. qmmm_module.o(.text+0x18f9): In function `__qmmm_module__qmmm_mpi_setup':
  261. : undefined reference to `mpi_recv_'
  262. qmmm_module.o(.text+0x1a58): In function `__qmmm_module__qmmm_mpi_setup':
  263. : undefined reference to `mpi_send_'
  264. egb.o(.text+0x2c51): In function `__genborn__egb':
  265. : undefined reference to `mpi_allreduce_'
  266. egb.o(.text+0x6716): In function `__genborn__egb_calc_radii':
  267. : undefined reference to `mpi_allreduce_'
  268. multisander.o(.text+0x42): In function `MAIN__':
  269. : undefined reference to `mpi_init_'
  270. multisander.o(.text+0x5f): In function `MAIN__':
  271. : undefined reference to `mpi_comm_rank_'
  272. multisander.o(.text+0x72): In function `MAIN__':
  273. : undefined reference to `mpi_comm_size_'
  274. multisander.o(.text+0x80): In function `MAIN__':
  275. : undefined reference to `mpi_barrier_'
  276. multisander.o(.text+0xeb): In function `MAIN__':
  277. : undefined reference to `mpi_bcast_'
  278. multisander.o(.text+0x27c): In function `MAIN__':
  279. : undefined reference to `mpi_bcast_'
  280. multisander.o(.text+0x434): In function `MAIN__':
  281. : undefined reference to `mpi_bcast_'
  282. multisander.o(.text+0x45a): In function `MAIN__':
  283. : undefined reference to `mpi_bcast_'
  284. multisander.o(.text+0x520): In function `MAIN__':
  285. : undefined reference to `mpi_bcast_'
  286. multisander.o(.text+0x5ab): In function `MAIN__':
  287. : undefined reference to `mpi_barrier_'
  288. multisander.o(.text+0x606): In function `MAIN__':
  289. : undefined reference to `mpi_comm_split_'
  290. multisander.o(.text+0x6f3): In function `MAIN__':
  291. : undefined reference to `mpi_comm_size_'
  292. multisander.o(.text+0x706): In function `MAIN__':
  293. : undefined reference to `mpi_comm_rank_'
  294. multisander.o(.text+0x76a): In function `MAIN__':
  295. : undefined reference to `mpi_comm_split_'
  296. multisander.o(.text+0x82b): In function `MAIN__':
  297. : undefined reference to `mpi_comm_size_'
  298. multisander.o(.text+0x83e): In function `MAIN__':
  299. : undefined reference to `mpi_comm_rank_'
  300. multisander.o(.text+0xa26): In function `MAIN__':
  301. : undefined reference to `mpi_bcast_'
  302. multisander.o(.text+0xa34): In function `MAIN__':
  303. : undefined reference to `mpi_barrier_'
  304. multisander.o(.text+0xfd8): In function `MAIN__':
  305. : undefined reference to `mpi_barrier_'
  306. multisander.o(.text+0x1651): In function `MAIN__':
  307. : undefined reference to `mpi_barrier_'
  308. multisander.o(.text+0x176e): In function `MAIN__':
  309. : undefined reference to `mpi_allgather_'
  310. multisander.o(.text+0x2bb8): In function `MAIN__':
  311. : undefined reference to `mpi_barrier_'
  312. multisander.o(.text+0x2d48): In function `MAIN__':
  313. : undefined reference to `mpi_barrier_'
  314. multisander.o(.text+0x2dd5): In function `MAIN__':
  315. : undefined reference to `mpi_comm_free_'
  316. multisander.o(.text+0x2e03): In function `MAIN__':
  317. : undefined reference to `mpi_comm_free_'
  318. multisander.o(.text+0x2f6e): In function `subrem_':
  319. : undefined reference to `mpi_allgather_'
  320. multisander.o(.text+0x2fa6): In function `subrem_':
  321. : undefined reference to `mpi_allgather_'
  322. multisander.o(.text+0x2fde): In function `subrem_':
  323. : undefined reference to `mpi_allgather_'
  324. multisander.o(.text+0x3f8f): In function `subrem_':
  325. : undefined reference to `mpi_barrier_'
  326. multisander.o(.text+0x3fc9): In function `subrem_':
  327. : undefined reference to `mpi_send_'
  328. multisander.o(.text+0x404e): In function `subrem_':
  329. : undefined reference to `mpi_barrier_'
  330. multisander.o(.text+0x4092): In function `subrem_':
  331. : undefined reference to `mpi_recv_'
  332. multisander.o(.text+0x4157): In function `subrem_':
  333. : undefined reference to `mpi_barrier_'
  334. multisander.o(.text+0x4198): In function `subrem_':
  335. : undefined reference to `mpi_gather_'
  336. multisander.o(.text+0x41d9): In function `subrem_':
  337. : undefined reference to `mpi_gather_'
  338. multisander.o(.text+0x420a): In function `subrem_':
  339. : undefined reference to `mpi_allreduce_'
  340. sander.o(.text+0x260f): In function `sander_':
  341. : undefined reference to `mpi_bcast_'
  342. sander.o(.text+0x2638): In function `sander_':
  343. : undefined reference to `mpi_bcast_'
  344. sander.o(.text+0x2661): In function `sander_':
  345. : undefined reference to `mpi_bcast_'
  346. sander.o(.text+0x2677): In function `sander_':
  347. : undefined reference to `mpi_barrier_'
  348. sander.o(.text+0x2a8b): In function `sander_':
  349. : undefined reference to `mpi_bcast_'
  350. sander.o(.text+0x4e63): In function `sander_':
  351. : undefined reference to `mpi_bcast_'
  352. nmrcal.o(.text+0x2ed3): In function `master.0.nmrcal_':
  353. : undefined reference to `mpi_bcast_'
  354. nmrcal.o(.text+0x2ef9): In function `master.0.nmrcal_':
  355. : undefined reference to `mpi_bcast_'
  356. nmrcal.o(.text+0x2f39): In function `master.0.nmrcal_':
  357. : undefined reference to `mpi_bcast_'
  358. nmrcal.o(.text+0x2f75): more undefined references to `mpi_bcast_' follow
  359. runmin.o(.text+0x1599): In function `runmin_':
  360. : undefined reference to `mpi_sendrecv_'
  361. runmin.o(.text+0x1603): In function `runmin_':
  362. : undefined reference to `mpi_sendrecv_'
  363. mdread.o(.text+0xf454): In function `mdread2_':
  364. : undefined reference to `mpi_bcast_'
  365. mdread.o(.text+0xf48f): In function `mdread2_':
  366. : undefined reference to `mpi_bcast_'
  367. mdread.o(.text+0xf5b5): In function `mdread2_':
  368. : undefined reference to `mpi_sendrecv_'
  369. mdread.o(.text+0xf624): In function `mdread2_':
  370. : undefined reference to `mpi_sendrecv_'
  371. runmd.o(.text+0xd1a): In function `runmd_':
  372. : undefined reference to `mpi_allreduce_'
  373. runmd.o(.text+0xf0e): In function `runmd_':
  374. : undefined reference to `mpi_bcast_'
  375. runmd.o(.text+0xf33): In function `runmd_':
  376. : undefined reference to `mpi_bcast_'
  377. runmd.o(.text+0x19a8): In function `runmd_':
  378. : undefined reference to `mpi_allreduce_'
  379. runmd.o(.text+0x3539): In function `runmd_':
  380. : undefined reference to `mpi_sendrecv_'
  381. runmd.o(.text+0x3596): In function `runmd_':
  382. : undefined reference to `mpi_sendrecv_'
  383. runmd.o(.text+0x37d9): In function `runmd_':
  384. : undefined reference to `mpi_bcast_'
  385. runmd.o(.text+0x545d): In function `runmd_':
  386. : undefined reference to `mpi_bcast_'
  387. runmd.o(.text+0x5482): In function `runmd_':
  388. : undefined reference to `mpi_bcast_'
  389. runmd.o(.text+0x5ef7): In function `runmd_':
  390. : undefined reference to `mpi_sendrecv_'
  391. runmd.o(.text+0x5f54): In function `runmd_':
  392. : undefined reference to `mpi_sendrecv_'
  393. parallel.o(.text+0x48): In function `startup_':
  394. : undefined reference to `mpi_bcast_'
  395. parallel.o(.text+0x6e): In function `startup_':
  396. : undefined reference to `mpi_bcast_'
  397. parallel.o(.text+0x94): In function `startup_':
  398. : undefined reference to `mpi_bcast_'
  399. parallel.o(.text+0xba): In function `startup_':
  400. : undefined reference to `mpi_bcast_'
  401. parallel.o(.text+0xe0): In function `startup_':
  402. : undefined reference to `mpi_bcast_'
  403. parallel.o(.text+0x106): more undefined references to `mpi_bcast_' follow
  404. parallel.o(.text+0x7b6): In function `startup_':
  405. : undefined reference to `mpi_barrier_'
  406. parallel.o(.text+0x9dd): In function `fdist_':
  407. : undefined reference to `mpi_reduce_'
  408. parallel.o(.text+0xb44): In function `fdist_':
  409. : undefined reference to `mpi_allreduce_'
  410. parallel.o(.text+0xc9b): In function `fdist_':
  411. : undefined reference to `mpi_allreduce_'
  412. parallel.o(.text+0xffe): In function `fsum_':
  413. : undefined reference to `mpi_sendrecv_'
  414. parallel.o(.text+0x1122): In function `fsum_':
  415. : undefined reference to `mpi_reduce_scatter_'
  416. parallel.o(.text+0x13fc): In function `xdist_':
  417. : undefined reference to `mpi_sendrecv_'
  418. parallel.o(.text+0x14c5): In function `xdist_':
  419. : undefined reference to `mpi_allgatherv_'
  420. ew_force.o(.text+0x29ff): In function `ewald_force_':
  421. : undefined reference to `mpi_comm_rank_'
  422. ew_force.o(.text+0x2a16): In function `ewald_force_':
  423. : undefined reference to `mpi_comm_size_'
  424. ew_force.o(.text+0x2d85): In function `ewald_force_':
  425. : undefined reference to `mpi_allreduce_'
  426. ew_force.o(.text+0x2f89): In function `ewald_force_':
  427. : undefined reference to `mpi_allreduce_'
  428. ew_force.o(.text+0x335a): In function `ewald_force_':
  429. : undefined reference to `mpi_comm_size_'
  430. ew_force.o(.text+0x3371): In function `ewald_force_':
  431. : undefined reference to `mpi_comm_rank_'
  432. ew_force.o(.text+0x3555): In function `ewald_force_':
  433. : undefined reference to `mpi_comm_rank_'
  434. ew_force.o(.text+0x356c): In function `ewald_force_':
  435. : undefined reference to `mpi_comm_size_'
  436. ew_force.o(.text+0x3b5a): In function `ewald_force_':
  437. : undefined reference to `mpi_comm_size_'
  438. ew_force.o(.text+0x3b71): In function `ewald_force_':
  439. : undefined reference to `mpi_comm_rank_'
  440. ew_force.o(.text+0x447a): In function `ewald_force_':
  441. : undefined reference to `mpi_comm_rank_'
  442. ew_force.o(.text+0x4491): In function `ewald_force_':
  443. : undefined reference to `mpi_comm_size_'
  444. ew_force.o(.text+0x4622): In function `ewald_force_':
  445. : undefined reference to `mpi_comm_size_'
  446. ew_force.o(.text+0x4639): In function `ewald_force_':
  447. : undefined reference to `mpi_comm_rank_'
  448. ew_setup.o(.text+0x6ae): In function `startup_groups_':
  449. : undefined reference to `mpi_bcast_'
  450. ew_setup.o(.text+0x3738): In function `ew_startup_':
  451. : undefined reference to `mpi_comm_size_'
  452. ew_setup.o(.text+0x374a): In function `ew_startup_':
  453. : undefined reference to `mpi_comm_rank_'
  454. ew_setup.o(.text+0x376a): In function `ew_startup_':
  455. : undefined reference to `mpi_comm_size_'
  456. ew_setup.o(.text+0x377c): In function `ew_startup_':
  457. : undefined reference to `mpi_comm_rank_'
  458. ew_fft.o(.text+0x5e9d): In function `zx_trans_recv_':
  459. : undefined reference to `mpi_recv_'
  460. ew_fft.o(.text+0x61a3): In function `zx_xy_transpose_':
  461. : undefined reference to `mpi_isend_'
  462. ew_fft.o(.text+0x61e7): In function `zx_xy_transpose_':
  463. : undefined reference to `mpi_wait_'
  464. ew_fft.o(.text+0x62e2): In function `xy_zx_trans_recv_':
  465. : undefined reference to `mpi_recv_'
  466. ew_fft.o(.text+0x6660): In function `xy_zx_transpose_':
  467. : undefined reference to `mpi_isend_'
  468. ew_fft.o(.text+0x66b3): In function `xy_zx_transpose_':
  469. : undefined reference to `mpi_wait_'
  470. nonbond_list.o(.text+0x759d): In function `__nblist__nonbond_list':
  471. : undefined reference to `mpi_barrier_'
  472. nonbond_list.o(.text+0x76e7): In function `__nblist__nonbond_list':
  473. : undefined reference to `mpi_comm_size_'
  474. nonbond_list.o(.text+0x76fe): In function `__nblist__nonbond_list':
  475. : undefined reference to `mpi_comm_rank_'
  476. nonbond_list.o(.text+0x7fce): In function `__nblist__nonbond_list':
  477. : undefined reference to `mpi_allreduce_'
  478. nonbond_list.o(.text+0x83f0): In function `__nblist__nonbond_list':
  479. : undefined reference to `mpi_allreduce_'
  480. nonbond_list.o(.text+0x8499): In function `__nblist__nonbond_list':
  481. : undefined reference to `mpi_allreduce_'
  482. nonbond_list.o(.text+0x84b0): In function `__nblist__nonbond_list':
  483. : undefined reference to `mpi_comm_rank_'
  484. nonbond_list.o(.text+0x84c7): In function `__nblist__nonbond_list':
  485. : undefined reference to `mpi_comm_size_'
  486. ew_recip.o(.text+0x3817): In function `__ew_recip__do_pmesh_kspace':
  487. : undefined reference to `mpi_barrier_'
  488. debug.o(.text+0x1def): In function `merge_forces_':
  489. : undefined reference to `mpi_reduce_'
  490. debug.o(.text+0x98eb): In function `get_analfrc_':
  491. : undefined reference to `mpi_barrier_'
  492. ew_dipole_recip.o(.text+0x25ba): In function `__ew_dipole_recip__do_pmesh_dipole_kspace':
  493. : undefined reference to `mpi_barrier_'
  494. ew_dipole_recip.o(.text+0x27cc): In function `__ew_dipole_recip__do_pmesh_dipole_kspace':
  495. : undefined reference to `mpi_barrier_'
  496. ew_dipole_recip.o(.text+0x2c77): In function `__ew_dipole_recip__do_pmesh_dipole_kspace':
  497. : undefined reference to `mpi_barrier_'
  498. mexit.o(.text+0x28): In function `mexit_':
  499. : undefined reference to `mpi_abort_'
  500. mexit.o(.text+0x3a): In function `mexit_':
  501. : undefined reference to `mpi_finalize_'
  502. new_time.o(.text+0x3e9): In function `profile_time_':
  503. : undefined reference to `mpi_send_'
  504. new_time.o(.text+0x762): In function `profile_time_':
  505. : undefined reference to `mpi_recv_'
  506. new_time.o(.text+0x1b94): In function `timer_barrier_':
  507. : undefined reference to `mpi_barrier_'
  508. ips.o(.text+0xbeb): In function `ipsupdate_':
  509. : undefined reference to `mpi_allreduce_'
  510. sglds.o(.text+0x363): In function `sgmdw_':
  511. : undefined reference to `mpi_allreduce_'
  512. sglds.o(.text+0xadb): In function `sgldw_':
  513. : undefined reference to `mpi_allreduce_'
  514. spatial_recip.o(.text+0x3fd9): In function `__ew_recip_spatial__spatial_do_pmesh_kspace':
  515. : undefined reference to `mpi_barrier_'
  516. spatial_fft.o(.text+0x1837): In function `__fft__transpose':
  517. : undefined reference to `mpi_type_contiguous_'
  518. spatial_fft.o(.text+0x1849): In function `__fft__transpose':
  519. : undefined reference to `mpi_type_commit_'
  520. spatial_fft.o(.text+0x1b10): In function `__fft__transpose':
  521. : undefined reference to `mpi_irecv_'
  522. spatial_fft.o(.text+0x1d87): In function `__fft__transpose':
  523. : undefined reference to `mpi_isend_'
  524. spatial_fft.o(.text+0x1fe7): In function `__fft__transpose':
  525. : undefined reference to `mpi_waitany_'
  526. spatial_fft.o(.text+0x2187): In function `__fft__transpose':
  527. : undefined reference to `mpi_waitall_'
  528. spatial_fft.o(.text+0x2199): In function `__fft__transpose':
  529. : undefined reference to `mpi_type_free_'
  530. spatial_fft.o(.text+0x23e2): In function `__fft__ftranspose':
  531. : undefined reference to `mpi_type_contiguous_'
  532. spatial_fft.o(.text+0x23f4): In function `__fft__ftranspose':
  533. : undefined reference to `mpi_type_commit_'
  534. spatial_fft.o(.text+0x26dc): In function `__fft__ftranspose':
  535. : undefined reference to `mpi_irecv_'
  536. spatial_fft.o(.text+0x2977): In function `__fft__ftranspose':
  537. : undefined reference to `mpi_isend_'
  538. spatial_fft.o(.text+0x2bde): In function `__fft__ftranspose':
  539. : undefined reference to `mpi_waitany_'
  540. spatial_fft.o(.text+0x2d7b): In function `__fft__ftranspose':
  541. : undefined reference to `mpi_waitall_'
  542. spatial_fft.o(.text+0x2da7): In function `__fft__ftranspose':
  543. : undefined reference to `mpi_type_free_'
  544. qm_ewald.o(.text+0x4b10): In function `qm_ewald_setup_':
  545. : undefined reference to `mpi_gather_'
  546. qm2_load_params_and_allocate.o(.text+0x1ac8a): In function `qm2_load_params_and_allocate_':
  547. : undefined reference to `mpi_allgather_'
  548. qm2_scf.o(.text+0x25a6): In function `qm2_scf_':
  549. : undefined reference to `mpi_allreduce_'
  550. qm2_scf.o(.text+0x286e): In function `qm2_scf_':
  551. : undefined reference to `mpi_reduce_'
  552. qm2_scf.o(.text+0x298b): In function `qm2_scf_':
  553. : undefined reference to `mpi_bcast_'
  554. force.o(.text+0x1469): In function `force_':
  555. : undefined reference to `mpi_bcast_'
  556. force.o(.text+0x1b68): In function `force_':
  557. : undefined reference to `mpi_bcast_'
  558. force.o(.text+0x1ba4): In function `force_':
  559. : undefined reference to `mpi_bcast_'
  560. force.o(.text+0x1bc6): In function `force_':
  561. : undefined reference to `mpi_bcast_'
  562. force.o(.text+0x1beb): more undefined references to `mpi_bcast_' follow
  563. force.o(.text+0x23d7): In function `force_':
  564. : undefined reference to `mpi_allgather_'
  565. force.o(.text+0x2405): In function `force_':
  566. : undefined reference to `mpi_allgather_'
  567. collect2: ld returned 1 exit status
  568. make[1]: *** [sander.MPI] Error 1
  569. make[1]: Leaving directory `/struct/software/linux/amber-9/src/sander'
  570. make: *** [parallel] Error 2
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