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naigner
Oct 20th, 2011
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  1. smp /work/sge/default/spool/r18n45/active_jobs/965135.1/pe_hostfile 6 1 /home/lv70190/aigner
  2. r18n45 6 fermi@r18n45 UNDEFINED
  3. LAMMPS (12 Oct 2011)
  4. Lattice spacing in x,y,z = 1.11428 1.92998 1.11428
  5. Created orthogonal box = (0 0 -0.278569) to (111.428 77.1994 0.278569)
  6. 1 by 1 by 1 processor grid
  7. Created 8141 atoms
  8. 302 atoms in group lower
  9. 302 atoms in group upper
  10. 604 atoms in group boundary
  11. 7537 atoms in group mobile
  12. 841 atoms in group leftupper
  13. 841 atoms in group leftlower
  14. Setting atom values ...
  15. 841 settings made for type
  16. Setting atom values ...
  17. 841 settings made for type
  18. Setting atom values ...
  19. 302 settings made for type
  20. Setting atom values ...
  21. 302 settings made for type
  22. WARNING: Temperature for thermo pressure is not for group all (thermo.cpp:442)
  23.  
  24. --------------------------------------------------------------------------
  25. - Using GPGPU acceleration for lj/cut:
  26. - with 1 proc(s) per device.
  27. --------------------------------------------------------------------------
  28. GPU 1: Tesla C2050, 448 cores, 2.5/2.6 GB, 1.1 GHZ (Single Precision)
  29. --------------------------------------------------------------------------
  30.  
  31. Initializing GPU and compiling on process 0...Done.
  32. Initializing GPU 1 on core 0...Done.
  33.  
  34. Setting up run ...
  35. Memory usage per processor = 1.66873 Mbytes
  36. Step Temp E_pair E_mol TotEng Press Volume
  37. 0 0.065651733 -3.265452 0 -3.2046792 -0.037870911 8602.1883
  38. 200 0.060060507 -3.25912 0 -3.2035229 -0.23589195 8635.3998
  39. 400 0.060353235 -3.2567807 0 -3.2009126 -0.44525433 8673.9339
  40. 600 0.060325057 -3.2521781 0 -3.1963361 -0.63170217 8712.2679
  41. 800 0.060606175 -3.2462804 0 -3.1901782 -0.79203876 8749.2074
  42. 1000 0.060416964 -3.2390569 0 -3.1831299 -0.93509442 8789.6709
  43. 1200 0.060623083 -3.2307049 0 -3.174587 -1.0618368 8823.3186
  44. 1400 0.060803273 -3.2213402 0 -3.1650555 -1.1719144 8858.9213
  45. 1600 0.061228463 -3.2109627 0 -3.1542844 -1.2708878 8881.4526
  46. 1800 0.061376347 -3.1997271 0 -3.1429119 -1.3519203 8913.933
  47. 2000 0.061492914 -3.1875138 0 -3.1305908 -1.4193505 8947.879
  48. 2200 0.061958453 -3.174579 0 -3.117225 -1.4795989 8981.1097
  49. 2400 0.062442804 -3.1608129 0 -3.1030105 -1.5266681 9011.4933
  50. 2600 0.062837519 -3.1463027 0 -3.088135 -1.5614214 9039.8707
  51. 2800 0.063009338 -3.1309042 0 -3.0725774 -1.5875124 9064.4782
  52. 3000 0.06320242 -3.1148062 0 -3.0563007 -1.6031718 9091.4136
  53. 3200 0.063089932 -3.0979265 0 -3.0395251 -1.6091167 9119.8953
  54. 3400 0.062574679 -3.0804631 0 -3.0225387 -1.6084153 9146.8572
  55. 3600 0.062064229 -3.0624329 0 -3.004981 -1.5964622 9176.1177
  56. 3800 0.061393154 -3.0436901 0 -2.9868594 -1.5805451 9205.4853
  57. 4000 0.060868947 -3.0247007 0 -2.9683553 -1.5692569 9233.019
  58. 4200 0.060177158 -3.005261 0 -2.9495559 -1.5671966 9264.2337
  59. 4400 0.059390498 -2.9855883 0 -2.9306114 -1.5754493 9286.8227
  60. 4600 0.058897888 -2.9658008 0 -2.91128 -1.5938523 9326.588
  61. 4800 0.058577016 -2.9460486 0 -2.8918248 -1.6190374 9366.2857
  62. 5000 0.058376624 -2.9262398 0 -2.8722014 -1.6469859 9411.5267
  63. Loop time of 3.07616 on 1 procs for 5000 steps with 8141 atoms
  64.  
  65. Pair time (%) = 1.84186 (59.8752)
  66. Neigh time (%) = 0.00304937 (0.0991293)
  67. Comm time (%) = 0.00558734 (0.181634)
  68. Outpt time (%) = 0.0865889 (2.81484)
  69. Other time (%) = 1.13908 (37.0292)
  70.  
  71. Nlocal: 8141 ave 8141 max 8141 min
  72. Histogram: 1 0 0 0 0 0 0 0 0 0
  73. Nghost: 0 ave 0 max 0 min
  74. Histogram: 1 0 0 0 0 0 0 0 0 0
  75. Neighs: 0 ave 0 max 0 min
  76. Histogram: 1 0 0 0 0 0 0 0 0 0
  77.  
  78. Total # of neighbors = 0
  79. Ave neighs/atom = 0
  80. Neighbor list builds = 71
  81. Dangerous builds = 0
  82.  
  83.  
  84. ---------------------------------------------------------------------
  85. GPU Time Info (average):
  86. ---------------------------------------------------------------------
  87. Data Transfer: 0.3537 s.
  88. Data Cast/Pack: 0.3480 s.
  89. Neighbor copy: 0.0003 s.
  90. Neighbor build: 0.1498 s.
  91. Force calc: 0.1949 s.
  92. GPU Overhead: 0.2825 s.
  93. Average split: 1.0000.
  94. Threads / atom: 1.
  95. Max Mem / Proc: 10.92 MB.
  96. CPU Driver_Time: 0.4093 s.
  97. CPU Idle_Time: 0.6084 s.
  98. ---------------------------------------------------------------------
  99.  
  100.  
  101.  
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