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logfile crack GPU

naigner
Oct 20th, 2011
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  1. LAMMPS (12 Oct 2011)
  2. # 2d LJ crack simulation
  3.  
  4. #suffix cuda
  5. #package cuda gpu/node special 1 1
  6. suffix gpu
  7. package gpu force/neigh 1 1 1.0
  8. newton off
  9.  
  10. dimension 2
  11. boundary s s p
  12.  
  13. atom_style atomic
  14. neighbor 0.3 bin
  15. neigh_modify delay 5
  16.  
  17. # create geometry
  18.  
  19. lattice hex 0.93
  20. Lattice spacing in x,y,z = 1.11428 1.92998 1.11428
  21. region box block 0 100 0 40 -0.25 0.25
  22. create_box 5 box
  23. Created orthogonal box = (0 0 -0.278569) to (111.428 77.1994 0.278569)
  24. 1 by 1 by 1 processor grid
  25. create_atoms 1 box
  26. Created 8141 atoms
  27.  
  28. mass 1 1.0
  29. mass 2 1.0
  30. mass 3 1.0
  31. mass 4 1.0
  32. mass 5 1.0
  33.  
  34. # LJ potentials
  35.  
  36. pair_style lj/cut 2.5
  37. pair_coeff * * 1.0 1.0 2.5
  38.  
  39. # define groups
  40.  
  41. region 1 block INF INF INF 1.25 INF INF
  42. group lower region 1
  43. 302 atoms in group lower
  44. region 2 block INF INF 38.75 INF INF INF
  45. group upper region 2
  46. 302 atoms in group upper
  47. group boundary union lower upper
  48. 604 atoms in group boundary
  49. group mobile subtract all boundary
  50. 7537 atoms in group mobile
  51.  
  52. region leftupper block INF 20 20 INF INF INF
  53. region leftlower block INF 20 INF 20 INF INF
  54. group leftupper region leftupper
  55. 841 atoms in group leftupper
  56. group leftlower region leftlower
  57. 841 atoms in group leftlower
  58.  
  59. set group leftupper type 2
  60. 841 settings made for type
  61. set group leftlower type 3
  62. 841 settings made for type
  63. set group lower type 4
  64. 302 settings made for type
  65. set group upper type 5
  66. 302 settings made for type
  67.  
  68. # initial velocities
  69.  
  70. compute new mobile temp
  71. velocity mobile create 0.01 887723 temp new
  72. velocity upper set 0.0 0.3 0.0
  73. velocity mobile ramp vy 0.0 0.3 y 1.25 38.75 sum yes
  74.  
  75. # fixes
  76.  
  77. fix 1 all nve
  78. fix 2 boundary setforce NULL 0.0 0.0
  79.  
  80. # run
  81.  
  82. timestep 0.003
  83. thermo 200
  84. thermo_modify temp new
  85. WARNING: Temperature for thermo pressure is not for group all (thermo.cpp:442)
  86.  
  87. neigh_modify exclude type 2 3
  88. dump 1 all atom 500 dump.crack
  89. run 5000
  90. Memory usage per processor = 1.66873 Mbytes
  91. Step Temp E_pair E_mol TotEng Press Volume
  92. 0 0.065651733 -3.265452 0 -3.2046792 -0.037870911 8602.1883
  93. 200 0.060060507 -3.25912 0 -3.2035229 -0.23589195 8635.3998
  94. 400 0.060353235 -3.2567807 0 -3.2009126 -0.44525433 8673.9339
  95. 600 0.060325057 -3.2521781 0 -3.1963361 -0.63170217 8712.2679
  96. 800 0.060606175 -3.2462804 0 -3.1901782 -0.79203876 8749.2074
  97. 1000 0.060416964 -3.2390569 0 -3.1831299 -0.93509442 8789.6709
  98. 1200 0.060623083 -3.2307049 0 -3.174587 -1.0618368 8823.3186
  99. 1400 0.060803273 -3.2213402 0 -3.1650555 -1.1719144 8858.9213
  100. 1600 0.061228463 -3.2109627 0 -3.1542844 -1.2708878 8881.4526
  101. 1800 0.061376347 -3.1997271 0 -3.1429119 -1.3519203 8913.933
  102. 2000 0.061492914 -3.1875138 0 -3.1305908 -1.4193505 8947.879
  103. 2200 0.061958453 -3.174579 0 -3.117225 -1.4795989 8981.1097
  104. 2400 0.062442804 -3.1608129 0 -3.1030105 -1.5266681 9011.4933
  105. 2600 0.062837519 -3.1463027 0 -3.088135 -1.5614214 9039.8707
  106. 2800 0.063009338 -3.1309042 0 -3.0725774 -1.5875124 9064.4782
  107. 3000 0.06320242 -3.1148062 0 -3.0563007 -1.6031718 9091.4136
  108. 3200 0.063089932 -3.0979265 0 -3.0395251 -1.6091167 9119.8953
  109. 3400 0.062574679 -3.0804631 0 -3.0225387 -1.6084153 9146.8572
  110. 3600 0.062064229 -3.0624329 0 -3.004981 -1.5964622 9176.1177
  111. 3800 0.061393154 -3.0436901 0 -2.9868594 -1.5805451 9205.4853
  112. 4000 0.060868947 -3.0247007 0 -2.9683553 -1.5692569 9233.019
  113. 4200 0.060177158 -3.005261 0 -2.9495559 -1.5671966 9264.2337
  114. 4400 0.059390498 -2.9855883 0 -2.9306114 -1.5754493 9286.8227
  115. 4600 0.058897888 -2.9658008 0 -2.91128 -1.5938523 9326.588
  116. 4800 0.058577016 -2.9460486 0 -2.8918248 -1.6190374 9366.2857
  117. 5000 0.058376624 -2.9262398 0 -2.8722014 -1.6469859 9411.5267
  118. Loop time of 3.07616 on 1 procs for 5000 steps with 8141 atoms
  119.  
  120. Pair time (%) = 1.84186 (59.8752)
  121. Neigh time (%) = 0.00304937 (0.0991293)
  122. Comm time (%) = 0.00558734 (0.181634)
  123. Outpt time (%) = 0.0865889 (2.81484)
  124. Other time (%) = 1.13908 (37.0292)
  125.  
  126. Nlocal: 8141 ave 8141 max 8141 min
  127. Histogram: 1 0 0 0 0 0 0 0 0 0
  128. Nghost: 0 ave 0 max 0 min
  129. Histogram: 1 0 0 0 0 0 0 0 0 0
  130. Neighs: 0 ave 0 max 0 min
  131. Histogram: 1 0 0 0 0 0 0 0 0 0
  132.  
  133. Total # of neighbors = 0
  134. Ave neighs/atom = 0
  135. Neighbor list builds = 71
  136. Dangerous builds = 0
  137.  
  138.  
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