ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

ATC version 2.0, date: Aug22

Browse Source 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10659 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
rjones
2013-08-23 00:14:37 +00:00
parent dddbef699d
commit 31b31f0a6a
77 changed files with 3976 additions and 3876 deletions
Download Patch File Download Diff File Expand all files Collapse all files

260
examples/USER/atc/fluids/bar1d_fluids.screen
View File

@ -19,23 +19,23 @@ Setting up run ...
Memory usage per processor = 18.9868 Mbytes
Step CPU TotEng PotEng AtC[1] Temp AtC[2]
0 0 -994.32071 -1292.1036 1073.0916 99.9 100
200 1.1 -1039.0541 -1337.1351 1073.0916 100 100
400 2.2 -1063.5946 -1361.6756 1073.0916 100 100
600 3 -1074.9626 -1373.0436 1073.0916 100 100
800 3.9 -1081.7626 -1379.8436 1073.0916 100 100
1000 4.7 -1078.0299 -1376.1109 1073.0916 100 100
1200 5.6 -1084.8934 -1382.9744 1073.0916 100 100
1400 6.4 -1082.8007 -1380.8817 1073.0916 100 100
1600 7.3 -1091.2229 -1389.3039 1073.0916 100 100
1800 8.2 -1089.9946 -1388.0756 1073.0916 100 100
2000 9 -1090.382 -1388.463 1073.0916 100 100
Loop time of 9.04165 on 4 procs for 2000 steps with 1288 atoms
200 0.77 -1039.0541 -1337.1351 1073.0916 100 100
400 1.5 -1063.5946 -1361.6756 1073.0916 100 100
600 2.3 -1074.9626 -1373.0436 1073.0916 100 100
800 3.1 -1081.7626 -1379.8436 1073.0916 100 100
1000 3.9 -1078.0299 -1376.1109 1073.0916 100 100
1200 4.7 -1084.8934 -1382.9744 1073.0916 100 100
1400 5.4 -1082.8007 -1380.8817 1073.0916 100 100
1600 6.2 -1091.2229 -1389.3039 1073.0916 100 100
1800 7 -1089.9946 -1388.0756 1073.0916 100 100
2000 7.8 -1090.382 -1388.463 1073.0916 100 100
Loop time of 7.79824 on 4 procs for 2000 steps with 1288 atoms
Pair time (%) = 4.58364 (50.6947)
Neigh time (%) = 1.84137 (20.3654)
Comm time (%) = 1.23272 (13.6338)
Outpt time (%) = 0.00281537 (0.0311377)
Other time (%) = 1.3811 (15.2749)
Pair time (%) = 4.18298 (53.6401)
Neigh time (%) = 1.79092 (22.9656)
Comm time (%) = 0.628929 (8.06501)
Outpt time (%) = 0.00293517 (0.0376389)
Other time (%) = 1.19248 (15.2916)
Nlocal: 322 ave 348 max 291 min
Histogram: 1 0 1 0 0 0 0 0 0 2
@ -57,33 +57,33 @@ Setting up run ...
Memory usage per processor = 25.6115 Mbytes
Step CPU TotEng PotEng AtC[1] Temp AtC[2]
0 0 -1090.382 -1388.463 1073.0916 100 100
100 0.47 -1087.5927 -1390.2846 1075.454 101.54684 100.25977
200 0.94 -1081.8609 -1380.2432 1075.0766 100.10105 100.30105
300 1.4 -1076.5286 -1384.5736 1077.5462 103.3427 100.56974
400 1.9 -1078.3503 -1388.7033 1083.8991 104.11699 101.14862
500 2.4 -1074.2004 -1390.3057 1091.383 106.04678 101.81783
600 2.8 -1072.5105 -1390.2059 1098.5161 106.58021 102.45902
700 3.3 -1065.5654 -1373.1988 1105.2316 103.20464 103.06686
800 3.8 -1062.4651 -1386.6034 1110.624 108.74168 103.56901
900 4.3 -1054.767 -1378.04 1119.5121 108.45141 104.35038
1000 4.7 -1048.6471 -1376.1878 1129.6369 109.88311 105.23054
1100 5.4 -1049.0911 -1378.9232 1137.6524 110.65183 105.94222
1200 5.9 -1048.3472 -1381.7201 1147.7652 111.83972 106.82141
1300 6.3 -1051.0343 -1380.5791 1156.3021 110.55547 107.57474
1400 6.8 -1047.5028 -1377.2009 1162.231 110.60686 108.11974
1500 7.5 -1049.3227 -1379.9459 1168.2617 110.91724 108.67288
1600 8.2 -1044.2411 -1376.4008 1172.3108 111.43272 109.06773
1700 8.7 -1041.3107 -1376.9092 1178.0968 112.58635 109.60132
1800 9.2 -1041.7106 -1387.1043 1185.6231 115.87242 110.27393
1900 9.7 -1032.7907 -1374.3649 1193.8935 114.59107 111.00596
100 0.45 -1087.5927 -1390.2846 1075.454 101.54684 100.25977
200 0.89 -1081.8609 -1380.2432 1075.0766 100.10105 100.30105
300 1.3 -1076.5286 -1384.5736 1077.5462 103.3427 100.56974
400 1.8 -1078.3503 -1388.7033 1083.8991 104.11699 101.14862
500 2.2 -1074.2004 -1390.3057 1091.383 106.04678 101.81783
600 3.8 -1072.5105 -1390.2059 1098.5161 106.58021 102.45902
700 4.2 -1065.5654 -1373.1988 1105.2316 103.20464 103.06686
800 4.7 -1062.4651 -1386.6034 1110.624 108.74168 103.56901
900 5.2 -1054.767 -1378.04 1119.5121 108.45141 104.35038
1000 5.9 -1048.6471 -1376.1878 1129.6369 109.88311 105.23054
1100 6.5 -1049.0911 -1378.9232 1137.6524 110.65183 105.94222
1200 6.9 -1048.3472 -1381.7201 1147.7652 111.83972 106.82141
1300 7.4 -1051.0343 -1380.5791 1156.3021 110.55547 107.57474
1400 7.8 -1047.5028 -1377.2009 1162.231 110.60686 108.11974
1500 8.3 -1049.3227 -1379.9459 1168.2617 110.91724 108.67288
1600 8.7 -1044.2411 -1376.4008 1172.3108 111.43272 109.06773
1700 9.2 -1041.3107 -1376.9092 1178.0968 112.58635 109.60132
1800 9.7 -1041.7106 -1387.1043 1185.6231 115.87242 110.27393
1900 10 -1032.7907 -1374.3649 1193.8935 114.59107 111.00596
2000 11 -1026.8551 -1378.0117 1201.8627 117.80577 111.71394
Loop time of 11.2746 on 4 procs for 2000 steps with 1288 atoms
Loop time of 10.5797 on 4 procs for 2000 steps with 1288 atoms
Pair time (%) = 4.72937 (41.9472)
Neigh time (%) = 1.91532 (16.9879)
Comm time (%) = 1.47289 (13.0638)
Outpt time (%) = 0.010129 (0.0898395)
Other time (%) = 3.14687 (27.9112)
Pair time (%) = 4.28553 (40.5071)
Neigh time (%) = 1.89029 (17.8671)
Comm time (%) = 1.0431 (9.85941)
Outpt time (%) = 0.0105612 (0.0998255)
Other time (%) = 3.35022 (31.6665)
Nlocal: 322 ave 342 max 299 min
Histogram: 1 0 1 0 0 0 0 0 0 2
@ -166,98 +166,98 @@ Step CPU TotEng PotEng AtC[1] Temp AtC[2]
ATC: P0, Iterative solve for lambda failed to converge after 50 iterations, final tolerance was 2.79083
terminate called after throwing an instance of 'ATC::ATC_Error'
terminate called after throwing an instance of 'terminate called after throwing an instance of 'ATC::ATC_Error'
terminate called after throwing an instance of 'ATC::ATC_Error'
[pharsalus:11201] *** Process received signal ***
ATC: P2, ERROR: CG solve did not converge, iterations: 4 residual: -nan
ATC: P3, ERROR: CG solve did not converge, iterations: 4 residual: -nan
ATC: P1, ERROR: CG solve did not converge, iterations: 4 residual: -nan
ATC: P0, ERROR: CG solve did not converge, iterations: 4 residual: -nan
terminate called after throwing an instance of 'ATC::ATC_Error'
terminate called after throwing an instance of 'ATC::ATC_Error'
terminate called after throwing an instance of 'ATC::ATC_Error'
[pharsalus:18190] *** Process received signal ***
terminate called after throwing an instance of 'ATC::ATC_Error'
[pharsalus:18193] *** Process received signal ***
[pharsalus:18193] Signal: Aborted (6)
[pharsalus:18193] Signal code: (-6)
[pharsalus:18189] *** Process received signal ***
[pharsalus:18190] Signal: Aborted (6)
[pharsalus:18190] Signal code: (-6)
[pharsalus:18191] *** Process received signal ***
[pharsalus:18191] Signal: Aborted (6)
[pharsalus:18191] Signal code: (-6)
[pharsalus:18189] Signal: Aborted (6)
[pharsalus:18189] Signal code: (-6)
[pharsalus:18190] [ 0] /lib64/libpthread.so.0() [0x3e7ce0f500]
[pharsalus:18190] [ 1] /lib64/libc.so.6(gsignal+0x35) [0x3e7c2328a5]
[pharsalus:18190] [ 2] /lib64/libc.so.6(abort+0x175) [0x3e7c234085]
[pharsalus:18190] [ 3] /usr/lib64/libstdc++.so.6(_ZN9__gnu_cxx27__verbose_terminate_handlerEv+0x12d) [0x3e83ebea5d]
[pharsalus:18190] [ 4] /usr/lib64/libstdc++.so.6() [0x3e83ebcbe6]
[pharsalus:18190] [ 5] /usr/lib64/libstdc++.so.6() [0x3e83ebcc13]
[pharsalus:18190] [ 6] /usr/lib64/libstdc++.so.6(__cxa_rethrow+0x46) [0x3e83ebcc96]
[pharsalus:18190] [ 7] ../../../lmp_openmpi(_ZN9LAMMPS_NS6FixATC15final_integrateEv+0x8b) [0x69382b]
[pharsalus:18190] [ 8] ../../../lmp_openmpi(_ZN9LAMMPS_NS6Modify15final_integrateEv+0x46) [0x7fbf86]
[pharsalus:18190] [ 9] ../../../lmp_openmpi(_ZN9LAMMPS_NS6Verlet3runEi+0x280) [0xa945e0]
[pharsalus:18190] [10] ../../../lmp_openmpi(_ZN9LAMMPS_NS3Run7commandEiPPc+0x296) [0xa5f496]
[pharsalus:18190] [11] ../../../lmp_openmpi(_ZN9LAMMPS_NS5Input15command_creatorINS_3RunEEEvPNS_6LAMMPSEiPPc+0x33) [0x7cf903]
[pharsalus:18190] [12] ../../../lmp_openmpi(_ZN9LAMMPS_NS5Input15execute_commandEv+0x7a7) [0x7cd2c7]
[pharsalus:18190] [13] ../../../lmp_openmpi(_ZN9LAMMPS_NS5Input4fileEv+0x63c) [0x7cf2ac]
[pharsalus:18190] [14] ../../../lmp_openmpi(main+0x49) [0x7dd4b9]
[pharsalus:18190] [15] /lib64/libc.so.6(__libc_start_main+0xfd) [0x3e7c21ecdd]
[pharsalus:18190] [16] ../../../lmp_openmpi() [0x53dd89]
[pharsalus:18190] *** End of error message ***
[pharsalus:18193] [ 0] /lib64/libpthread.so.0() [0x3e7ce0f500]
[pharsalus:18189] [ 0] /lib64/libpthread.so.0() [0x3e7ce0f500]
[pharsalus:18189] [ 1] /lib64/libc.so.6(gsignal+0x35) [0x3e7c2328a5]
[pharsalus:18189] [ 2] /lib64/libc.so.6(abort+0x175) [0x3e7c234085]
[pharsalus:18189] [ 3] /usr/lib64/libstdc++.so.6(_ZN9__gnu_cxx27__verbose_terminate_handlerEv+0x12d) [0x3e83ebea5d]
[pharsalus:18189] [ 4] /usr/lib64/libstdc++.so.6() [0x3e83ebcbe6]
[pharsalus:18189] [ 5] /usr/lib64/libstdc++.so.6() [0x3e83ebcc13]
[pharsalus:18189] [ 6] /usr/lib64/libstdc++.so.6(__cxa_rethrow+0x46) [0x3e83ebcc96]
[pharsalus:18189] [ 7] ../../../lmp_openmpi(_ZN9LAMMPS_NS6FixATC15final_integrateEv+0x8b) [0x69382b]
[pharsalus:18189] [ 8] ../../../lmp_openmpi(_ZN9LAMMPS_NS6Modify15final_integrateEv+0x46) [0x7fbf86]
[pharsalus:18189] [ 9] ../../../lmp_openmpi(_ZN9LAMMPS_NS6Verlet3runEi+0x280) [0xa945e0]
[pharsalus:18189] [10] ../../../lmp_openmpi(_ZN9LAMMPS_NS3Run7commandEiPPc+0x296) [0xa5f496]
[pharsalus:18189] [11] ../../../lmp_openmpi(_ZN9LAMMPS_NS5Input15command_creatorINS_3RunEEEvPNS_6LAMMPSEiPPc+0x33) [0x7cf903]
[pharsalus:18189] [12] ../../../lmp_openmpi(_ZN9LAMMPS_NS5Input15execute_commandEv+0x7a7) [0x7cd2c7]
[pharsalus:18189] [13] ../../../lmp_openmpi(_ZN9LAMMPS_NS5Input4fileEv+0x63c) [0x7cf2ac]
[pharsalus:18189] [14] ../../../lmp_openmpi(main+0x49) [0x7dd4b9]
[pharsalus:18189] [15] /lib64/libc.so.6(__libc_start_main+0xfd) [0x3e7c21ecdd]
[pharsalus:18189] [16] ../../../lmp_openmpi() [0x53dd89]
[pharsalus:18189] *** End of error message ***
[pharsalus:18191] [ 0] /lib64/libpthread.so.0() [0x3e7ce0f500]
[pharsalus:18191] [ 1] /lib64/libc.so.6(gsignal+0x35) [0x3e7c2328a5]
[pharsalus:18191] [ 2] /lib64/libc.so.6(abort+0x175) [0x3e7c234085]
[pharsalus:18191] [ 3] /usr/lib64/libstdc++.so.6(_ZN9__gnu_cxx27__verbose_terminate_handlerEv+0x12d) [0x3e83ebea5d]
[pharsalus:18191] [ 4] /usr/lib64/libstdc++.so.6() [0x3e83ebcbe6]
[pharsalus:18191] [ 5] /usr/lib64/libstdc++.so.6() [0x3e83ebcc13]
[pharsalus:18191] [ 6] /usr/lib64/libstdc++.so.6(__cxa_rethrow+0x46) [0x3e83ebcc96]
[pharsalus:18191] [ 7] ../../../lmp_openmpi(_ZN9LAMMPS_NS6FixATC15final_integrateEv+0x8b) [0x69382b]
[pharsalus:18191] [ 8] ../../../lmp_openmpi(_ZN9LAMMPS_NS6Modify15final_integrateEv+0x46) [0x7fbf86]
[pharsalus:18191] [ 9] ../../../lmp_openmpi(_ZN9LAMMPS_NS6Verlet3runEi+0x280) [0xa945e0]
[pharsalus:18191] [10] ../../../lmp_openmpi(_ZN9LAMMPS_NS3Run7commandEiPPc+0x296) [0xa5f496]
[pharsalus:18191] [11] ../../../lmp_openmpi(_ZN9LAMMPS_NS5Input15command_creatorINS_3RunEEEvPNS_6LAMMPSEiPPc+0x33) [0x7cf903]
[pharsalus:18191] [12] ../../../lmp_openmpi(_ZN9LAMMPS_NS5Input15execute_commandEv+0x7a7) [0x7cd2c7]
[pharsalus:18191] [13] ../../../lmp_openmpi(_ZN9LAMMPS_NS5Input4fileEv+0x63c) [0x7cf2ac]
[pharsalus:18191] [14] ../../../lmp_openmpi(main+0x49) [0x7dd4b9]
[pharsalus:18191] [15] /lib64/libc.so.6(__libc_start_main+0xfd) [0x3e7c21ecdd]
[pharsalus:18191] [16] ../../../lmp_openmpi() [0x53dd89]
[pharsalus:18191] *** End of error message ***
[pharsalus:18193] [ 1] /lib64/libc.so.6(gsignal+0x35) [0x3e7c2328a5]
[pharsalus:18193] [ 2] /lib64/libc.so.6(abort+0x175) [0x3e7c234085]
[pharsalus:18193] [ 3] /usr/lib64/libstdc++.so.6(_ZN9__gnu_cxx27__verbose_terminate_handlerEv+0x12d) [0x3e83ebea5d]
[pharsalus:18193] [ 4] /usr/lib64/libstdc++.so.6() [0x3e83ebcbe6]
[pharsalus:18193] [ 5] /usr/lib64/libstdc++.so.6() [0x3e83ebcc13]
[pharsalus:18193] [ 6] /usr/lib64/libstdc++.so.6(__cxa_rethrow+0x46) [0x3e83ebcc96]
[pharsalus:18193] [ 7] ../../../lmp_openmpi(_ZN9LAMMPS_NS6FixATC15final_integrateEv+0x8b) [0x69382b]
[pharsalus:18193] [ 8] ../../../lmp_openmpi(_ZN9LAMMPS_NS6Modify15final_integrateEv+0x46) [0x7fbf86]
[pharsalus:18193] [ 9] ../../../lmp_openmpi(_ZN9LAMMPS_NS6Verlet3runEi+0x280) [0xa945e0]
[pharsalus:18193] [10] ../../../lmp_openmpi(_ZN9LAMMPS_NS3Run7commandEiPPc+0x296) [0xa5f496]
[pharsalus:18193] [11] ../../../lmp_openmpi(_ZN9LAMMPS_NS5Input15command_creatorINS_3RunEEEvPNS_6LAMMPSEiPPc+0x33) [0x7cf903]
[pharsalus:18193] [12] ../../../lmp_openmpi(_ZN9LAMMPS_NS5Input15execute_commandEv+0x7a7) [0x7cd2c7]
[pharsalus:18193] [13] ../../../lmp_openmpi(_ZN9LAMMPS_NS5Input4fileEv+0x63c) [0x7cf2ac]
[pharsalus:18193] [14] ../../../lmp_openmpi(main+0x49) [0x7dd4b9]
[pharsalus:18193] [15] /lib64/libc.so.6(__libc_start_main+0xfd) [0x3e7c21ecdd]
[pharsalus:18193] [16] ../../../lmp_openmpi() [0x53dd89]
[pharsalus:18193] *** End of error message ***
[pharsalus:11198] *** Process received signal ***
[pharsalus:11198] Signal: Aborted (6)
[pharsalus:11198] Signal code: (-6)
[pharsalus:11199] *** Process received signal ***
[pharsalus:11199] Signal: Aborted (6)
[pharsalus:11199] Signal code: (-6)
[pharsalus:11201] Signal: Aborted (6)
[pharsalus:11201] Signal code: (-6)
ATC::ATC_Error'
[pharsalus:11200] *** Process received signal ***
[pharsalus:11200] Signal: Aborted (6)
[pharsalus:11200] Signal code: (-6)
[pharsalus:11201] [ 0] /lib64/libpthread.so.0() [0x3e7ce0f500]
[pharsalus:11201] [ 1] /lib64/libc.so.6(gsignal+0x35) [0x3e7c2328a5]
[pharsalus:11201] [ 2] /lib64/libc.so.6(abort+0x175) [0x3e7c234085]
[pharsalus:11201] [ 3] /usr/lib64/libstdc++.so.6(_ZN9__gnu_cxx27__verbose_terminate_handlerEv+0x12d) [0x3e83ebea5d]
[pharsalus:11201] [ 4] /usr/lib64/libstdc++.so.6() [0x3e83ebcbe6]
[pharsalus:11201] [ 5] /usr/lib64/libstdc++.so.6() [0x3e83ebcc13]
[pharsalus:11201] [ 6] /usr/lib64/libstdc++.so.6(__cxa_rethrow+0x46) [0x3e83ebcc96]
[pharsalus:11201] [ 7] ../../../lmp_openmpi(_ZN9LAMMPS_NS6FixATC15final_integrateEv+0x8b) [0x68d05b]
[pharsalus:11201] [ 8] ../../../lmp_openmpi(_ZN9LAMMPS_NS6Modify15final_integrateEv+0x46) [0x7c4366]
[pharsalus:11201] [ 9] ../../../lmp_openmpi(_ZN9LAMMPS_NS6Verlet3runEi+0x280) [0xa530d0]
[pharsalus:11201] [10] ../../../lmp_openmpi(_ZN9LAMMPS_NS3Run7commandEiPPc+0x296) [0xa220a6]
[pharsalus:11201] [11] ../../../lmp_openmpi(_ZN9LAMMPS_NS5Input15command_creatorINS_3RunEEEvPNS_6LAMMPSEiPPc+0x33) [0x797eb3]
[pharsalus:11201] [12] ../../../lmp_openmpi(_ZN9LAMMPS_NS5Input15execute_commandEv+0x7a7) [0x795977]
[pharsalus:11201] [13] ../../../lmp_openmpi(_ZN9LAMMPS_NS5Input4fileEv+0x63c) [0x79795c]
[pharsalus:11201] [14] ../../../lmp_openmpi(main+0x49) [0x7a5899]
[pharsalus:11201] [15] /lib64/libc.so.6(__libc_start_main+0xfd) [0x3e7c21ecdd]
[pharsalus:11201] [16] ../../../lmp_openmpi() [0x538069]
[pharsalus:11201] *** End of error message ***
[pharsalus:11198] [ 0] /lib64/libpthread.so.0() [0x3e7ce0f500]
[pharsalus:11198] [ 1] /lib64/libc.so.6(gsignal+0x35) [0x3e7c2328a5]
[pharsalus:11198] [ 2] /lib64/libc.so.6(abort+0x175) [0x3e7c234085]
[pharsalus:11198] [ 3] /usr/lib64/libstdc++.so.6(_ZN9__gnu_cxx27__verbose_terminate_handlerEv+0x12d) [0x3e83ebea5d]
[pharsalus:11198] [ 4] /usr/lib64/libstdc++.so.6() [0x3e83ebcbe6]
[pharsalus:11198] [ 5] /usr/lib64/libstdc++.so.6() [0x3e83ebcc13]
[pharsalus:11198] [ 6] /usr/lib64/libstdc++.so.6(__cxa_rethrow+0x46) [0x3e83ebcc96]
[pharsalus:11198] [ 7] ../../../lmp_openmpi(_ZN9LAMMPS_NS6FixATC15final_integrateEv+0x8b) [0x68d05b]
[pharsalus:11198] [ 8] ../../../lmp_openmpi(_ZN9LAMMPS_NS6Modify15final_integrateEv+0x46) [0x7c4366]
[pharsalus:11198] [ 9] ../../../lmp_openmpi(_ZN9LAMMPS_NS6Verlet3runEi+0x280) [0xa530d0]
[pharsalus:11198] [10] ../../../lmp_openmpi(_ZN9LAMMPS_NS3Run7commandEiPPc+0x296) [0xa220a6]
[pharsalus:11198] [11] ../../../lmp_openmpi(_ZN9LAMMPS_NS5Input15command_creatorINS_3RunEEEvPNS_6LAMMPSEiPPc+0x33) [0x797eb3]
[pharsalus:11198] [12] ../../../lmp_openmpi(_ZN9LAMMPS_NS5Input15execute_commandEv+0x7a7) [0x795977]
[pharsalus:11198] [13] ../../../lmp_openmpi(_ZN9LAMMPS_NS5Input4fileEv+0x63c) [0x79795c]
[pharsalus:11198] [14] ../../../lmp_openmpi(main+0x49) [0x7a5899]
[pharsalus:11198] [15] /lib64/libc.so.6(__libc_start_main+0xfd) [0x3e7c21ecdd]
[pharsalus:11198] [16] ../../../lmp_openmpi() [0x538069]
[pharsalus:11198] *** End of error message ***
[pharsalus:11199] [ 0] /lib64/libpthread.so.0() [0x3e7ce0f500]
[pharsalus:11199] [ 1] /lib64/libc.so.6(gsignal+0x35) [0x3e7c2328a5]
[pharsalus:11199] [ 2] /lib64/libc.so.6(abort+0x175) [0x3e7c234085]
[pharsalus:11199] [ 3] /usr/lib64/libstdc++.so.6(_ZN9__gnu_cxx27__verbose_terminate_handlerEv+0x12d) [0x3e83ebea5d]
[pharsalus:11199] [ 4] /usr/lib64/libstdc++.so.6() [0x3e83ebcbe6]
[pharsalus:11199] [ 5] /usr/lib64/libstdc++.so.6() [0x3e83ebcc13]
[pharsalus:11199] [ 6] /usr/lib64/libstdc++.so.6(__cxa_rethrow+0x46) [0x3e83ebcc96]
[pharsalus:11199] [ 7] ../../../lmp_openmpi(_ZN9LAMMPS_NS6FixATC15final_integrateEv+0x8b) [0x68d05b]
[pharsalus:11199] [ 8] ../../../lmp_openmpi(_ZN9LAMMPS_NS6Modify15final_integrateEv+0x46) [0x7c4366]
[pharsalus:11199] [ 9] ../../../lmp_openmpi(_ZN9LAMMPS_NS6Verlet3runEi+0x280) [0xa530d0]
[pharsalus:11199] [10] ../../../lmp_openmpi(_ZN9LAMMPS_NS3Run7commandEiPPc+0x296) [0xa220a6]
[pharsalus:11199] [11] ../../../lmp_openmpi(_ZN9LAMMPS_NS5Input15command_creatorINS_3RunEEEvPNS_6LAMMPSEiPPc+0x33) [0x797eb3]
[pharsalus:11199] [12] ../../../lmp_openmpi(_ZN9LAMMPS_NS5Input15execute_commandEv+0x7a7) [0x795977]
[pharsalus:11199] [13] ../../../lmp_openmpi(_ZN9LAMMPS_NS5Input4fileEv+0x63c) [0x79795c]
[pharsalus:11199] [14] ../../../lmp_openmpi(main+0x49) [0x7a5899]
[pharsalus:11199] [15] /lib64/libc.so.6(__libc_start_main+0xfd) [0x3e7c21ecdd]
[pharsalus:11199] [16] ../../../lmp_openmpi() [0x538069]
[pharsalus:11199] *** End of error message ***
[pharsalus:11200] [ 0] /lib64/libpthread.so.0() [0x3e7ce0f500]
[pharsalus:11200] [ 1] /lib64/libc.so.6(gsignal+0x35) [0x3e7c2328a5]
[pharsalus:11200] [ 2] /lib64/libc.so.6(abort+0x175) [0x3e7c234085]
[pharsalus:11200] [ 3] /usr/lib64/libstdc++.so.6(_ZN9__gnu_cxx27__verbose_terminate_handlerEv+0x12d) [0x3e83ebea5d]
[pharsalus:11200] [ 4] /usr/lib64/libstdc++.so.6() [0x3e83ebcbe6]
[pharsalus:11200] [ 5] /usr/lib64/libstdc++.so.6() [0x3e83ebcc13]
[pharsalus:11200] [ 6] /usr/lib64/libstdc++.so.6(__cxa_rethrow+0x46) [0x3e83ebcc96]
[pharsalus:11200] [ 7] ../../../lmp_openmpi(_ZN9LAMMPS_NS6FixATC15final_integrateEv+0x8b) [0x68d05b]
[pharsalus:11200] [ 8] ../../../lmp_openmpi(_ZN9LAMMPS_NS6Modify15final_integrateEv+0x46) [0x7c4366]
[pharsalus:11200] [ 9] ../../../lmp_openmpi(_ZN9LAMMPS_NS6Verlet3runEi+0x280) [0xa530d0]
[pharsalus:11200] [10] ../../../lmp_openmpi(_ZN9LAMMPS_NS3Run7commandEiPPc+0x296) [0xa220a6]
[pharsalus:11200] [11] ../../../lmp_openmpi(_ZN9LAMMPS_NS5Input15command_creatorINS_3RunEEEvPNS_6LAMMPSEiPPc+0x33) [0x797eb3]
[pharsalus:11200] [12] ../../../lmp_openmpi(_ZN9LAMMPS_NS5Input15execute_commandEv+0x7a7) [0x795977]
[pharsalus:11200] [13] ../../../lmp_openmpi(_ZN9LAMMPS_NS5Input4fileEv+0x63c) [0x79795c]
[pharsalus:11200] [14] ../../../lmp_openmpi(main+0x49) [0x7a5899]
[pharsalus:11200] [15] /lib64/libc.so.6(__libc_start_main+0xfd) [0x3e7c21ecdd]
[pharsalus:11200] [16] ../../../lmp_openmpi() [0x538069]
[pharsalus:11200] *** End of error message ***
--------------------------------------------------------------------------
mpirun noticed that process rank 2 with PID 18191 on node pharsalus exited on signal 6 (Aborted).
mpirun noticed that process rank 2 with PID 11200 on node pharsalus exited on signal 6 (Aborted).
--------------------------------------------------------------------------

14
examples/USER/atc/fluids/double_layer.screen
View File

@ -178,14 +178,14 @@ Step E_pair E_mol TotEng Press fluidT
800 -9250.72 0 -9226.768 -55686.507 294.64934
900 -9251.0634 0 -9227.1621 -55774.601 292.41664
1000 -9250.8046 0 -9227.0389 -55778.639 286.45437
Loop time of 33.0028 on 4 procs for 1000 steps with 1982 atoms
Loop time of 33.335 on 4 procs for 1000 steps with 1982 atoms
Pair time (%) = 6.77354 (20.5241)
Bond time (%) = 0.000575602 (0.0017441)
Neigh time (%) = 0.0390739 (0.118396)
Comm time (%) = 0.339662 (1.02919)
Outpt time (%) = 0.0657595 (0.199255)
Other time (%) = 25.7842 (78.1273)
Pair time (%) = 6.92194 (20.7648)
Bond time (%) = 0.000487626 (0.00146281)
Neigh time (%) = 0.0395007 (0.118496)
Comm time (%) = 0.29625 (0.888707)
Outpt time (%) = 0.0683134 (0.20493)
Other time (%) = 26.0085 (78.0216)
Nlocal: 495.5 ave 976 max 63 min
Histogram: 2 0 0 0 0 0 0 0 1 1

30
examples/USER/atc/fluids/liquid_electrostatic.screen
View File

@ -110,22 +110,22 @@ Setting up run ...
Memory usage per processor = 63.7188 Mbytes
Step CPU TotEng KinEng
0 0 35.202587 65.819079
100 0.25212598 35.132776 72.573174
200 0.49600196 37.926061 85.105883
300 0.73696208 43.306749 97.61592
400 0.90526915 50.460579 107.44276
500 1.0298591 58.987352 111.76417
600 1.155468 68.996097 125.58655
700 1.2822959 79.481129 137.54934
800 1.4155531 89.704034 154.18784
Loop time of 1.41558 on 4 procs for 800 steps with 192 atoms
100 0.16585207 35.132776 72.573174
200 0.28952599 37.926061 85.105883
300 0.41190004 43.306749 97.61592
400 0.53484988 50.460579 107.44276
500 0.65845585 58.987352 111.76417
600 0.78228402 68.996097 125.58655
700 0.90865397 79.481129 137.54934
800 1.040766 89.704034 154.18784
Loop time of 1.0408 on 4 procs for 800 steps with 192 atoms
Pair time (%) = 0.0789945 (5.58036)
Bond time (%) = 0.000133634 (0.00944019)
Neigh time (%) = 0.0765244 (5.40587)
Comm time (%) = 0.0761636 (5.38038)
Outpt time (%) = 0.00376701 (0.266111)
Other time (%) = 1.18 (83.3578)
Pair time (%) = 0.0753274 (7.23747)
Bond time (%) = 0.000136554 (0.0131202)
Neigh time (%) = 0.0669109 (6.42881)
Comm time (%) = 0.0491128 (4.71877)
Outpt time (%) = 0.00378978 (0.364123)
Other time (%) = 0.84552 (81.2377)
Nlocal: 48 ave 73 max 35 min
Histogram: 1 1 1 0 0 0 0 0 0 1

14
examples/USER/atc/fluids/opp_force.screen
View File

@ -121,14 +121,14 @@ Step TotEng Temp Press PotEng Fn Fp
800 17805.47 15491.378 14643513 16654.08 2644.7457 -2644.7457
900 20614.308 23711.81 16239209 18851.938 218.5282 -218.5282
1000 22067.741 26242.181 17175599 20117.302 -752.00587 752.00587
Loop time of 4.29563 on 4 procs for 1000 steps with 576 atoms
Loop time of 3.61433 on 4 procs for 1000 steps with 576 atoms
Pair time (%) = 1.58551 (36.9097)
Bond time (%) = 0.000192702 (0.004486)
Neigh time (%) = 0.0330397 (0.769147)
Comm time (%) = 0.338273 (7.87483)
Outpt time (%) = 0.0100924 (0.234945)
Other time (%) = 2.32853 (54.2069)
Pair time (%) = 1.42659 (39.4704)
Bond time (%) = 0.000272751 (0.00754637)
Neigh time (%) = 0.0340507 (0.942103)
Comm time (%) = 0.178986 (4.95211)
Outpt time (%) = 0.010044 (0.277895)
Other time (%) = 1.96439 (54.3499)
Nlocal: 144 ave 144 max 144 min
Histogram: 4 0 0 0 0 0 0 0 0 0

60
examples/USER/atc/fluids/poisson.screen
View File

@ -78,14 +78,14 @@ Memory usage per processor = 48.9866 Mbytes
Step TotEng Temp Press PotEng Fx Fy
0 13388.811 0 12185513 13388.811 -11520 -5.4091662e-13
1 13388.811 0 12185513 13388.811 -11520 -5.4091662e-13
Loop time of 0.00876236 on 4 procs for 1 steps with 576 atoms
Loop time of 0.00848854 on 4 procs for 1 steps with 576 atoms
Pair time (%) = 0.00293046 (33.4438)
Bond time (%) = 2.98023e-07 (0.00340118)
Pair time (%) = 0.00294971 (34.7494)
Bond time (%) = 2.38419e-07 (0.00280871)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000374079 (4.26916)
Outpt time (%) = 0.00139093 (15.874)
Other time (%) = 0.00406659 (46.4097)
Comm time (%) = 0.000393808 (4.63929)
Outpt time (%) = 0.00127351 (15.0027)
Other time (%) = 0.00387126 (45.6058)
Nlocal: 144 ave 144 max 144 min
Histogram: 4 0 0 0 0 0 0 0 0 0
@ -122,14 +122,14 @@ Memory usage per processor = 48.9866 Mbytes
Step TotEng Temp Press PotEng Fx Fy
1 13388.811 0 12185513 13388.811 -200361.27 6.719863e-13
2 13388.811 0 12185513 13388.811 -200361.27 6.719863e-13
Loop time of 0.00804049 on 4 procs for 1 steps with 576 atoms
Loop time of 0.00795674 on 4 procs for 1 steps with 576 atoms
Pair time (%) = 0.00292277 (36.3507)
Bond time (%) = 7.7486e-07 (0.00963698)
Pair time (%) = 0.00293422 (36.8771)
Bond time (%) = 0 (0)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000391722 (4.87187)
Outpt time (%) = 0.000965953 (12.0136)
Other time (%) = 0.00375926 (46.7542)
Comm time (%) = 0.000403821 (5.07521)
Outpt time (%) = 0.000873327 (10.9759)
Other time (%) = 0.00374538 (47.0717)
Nlocal: 144 ave 144 max 144 min
Histogram: 4 0 0 0 0 0 0 0 0 0
@ -157,14 +157,14 @@ Memory usage per processor = 48.9866 Mbytes
Step TotEng Temp Press PotEng Fx Fy
2 13388.811 0 12185513 13388.811 -252475.24 1.1650611e-12
3 13388.811 0 12185513 13388.811 -252475.24 1.1650611e-12
Loop time of 0.00827122 on 4 procs for 1 steps with 576 atoms
Loop time of 0.00805825 on 4 procs for 1 steps with 576 atoms
Pair time (%) = 0.00292873 (35.4087)
Bond time (%) = 0 (0)
Pair time (%) = 0.00292993 (36.3593)
Bond time (%) = 2.38419e-07 (0.00295869)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000398278 (4.81523)
Outpt time (%) = 0.000935972 (11.316)
Other time (%) = 0.00400823 (48.46)
Comm time (%) = 0.000372887 (4.62739)
Outpt time (%) = 0.000829518 (10.294)
Other time (%) = 0.00392568 (48.7163)
Nlocal: 144 ave 144 max 144 min
Histogram: 4 0 0 0 0 0 0 0 0 0
@ -194,14 +194,14 @@ Memory usage per processor = 48.9866 Mbytes
Step TotEng Temp Press PotEng Fx Fy
3 13388.811 0 12185513 13388.811 -225709.12 9.1181426e-13
4 13388.811 0 12185513 13388.811 -225709.12 9.1181426e-13
Loop time of 0.00827569 on 4 procs for 1 steps with 576 atoms
Loop time of 0.0207634 on 4 procs for 1 steps with 576 atoms
Pair time (%) = 0.00293577 (35.4746)
Bond time (%) = 5.36442e-07 (0.00648214)
Pair time (%) = 0.00293261 (14.1239)
Bond time (%) = 4.76837e-07 (0.00229653)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000405252 (4.8969)
Outpt time (%) = 0.000962913 (11.6354)
Other time (%) = 0.00397122 (47.9866)
Comm time (%) = 0.000381947 (1.83952)
Outpt time (%) = 0.00084269 (4.05854)
Other time (%) = 0.0166057 (79.9757)
Nlocal: 144 ave 144 max 144 min
Histogram: 4 0 0 0 0 0 0 0 0 0
@ -233,14 +233,14 @@ Memory usage per processor = 48.9866 Mbytes
Step TotEng Temp Press PotEng Fx Fy
4 13388.811 0 12185513 13388.811 4.3291948e-09 -1.4571568e-12
5 13388.811 0 12185513 13388.811 4.3364707e-09 -1.4571568e-12
Loop time of 0.0088349 on 4 procs for 1 steps with 576 atoms
Loop time of 0.00834298 on 4 procs for 1 steps with 576 atoms
Pair time (%) = 0.0029276 (33.1368)
Bond time (%) = 7.15256e-07 (0.0080958)
Pair time (%) = 0.00295025 (35.3621)
Bond time (%) = 5.36442e-07 (0.00642986)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000395775 (4.47968)
Outpt time (%) = 0.00099498 (11.2619)
Other time (%) = 0.00451583 (51.1135)
Comm time (%) = 0.000404477 (4.84811)
Outpt time (%) = 0.000974476 (11.6802)
Other time (%) = 0.00401324 (48.1032)
Nlocal: 144 ave 144 max 144 min
Histogram: 4 0 0 0 0 0 0 0 0 0

52
examples/USER/atc/fluids/shear_flow.screen
View File

@ -22,33 +22,33 @@ Setting up run ...
Memory usage per processor = 22.1391 Mbytes
Step CPU TotEng PotEng Temp
0 0 -1119.8507 -1407.9617 96.655262
100 0.58 -1119.83 -1407.8271 96.617057
200 1 -1119.801 -1400.4751 94.160328
300 1.5 -1119.7243 -1410.8861 97.67875
400 2 -1119.6585 -1408.2541 96.817832
500 2.5 -1119.6526 -1408.5674 96.92494
600 2.9 -1119.6342 -1408.633 96.953119
700 3.4 -1119.5363 -1418.9222 100.43776
800 3.9 -1119.436 -1415.3458 99.271609
900 4.4 -1119.2691 -1417.3977 100.01597
1000 4.9 -1119.1088 -1413.6621 98.816536
1100 6.6 -1118.9641 -1411.446 98.121631
1200 7.2 -1118.8394 -1421.816 101.64237
1300 7.6 -1118.7366 -1420.5197 101.242
1400 8.1 -1118.6053 -1425.0807 102.81614
1500 9 -1118.4749 -1425.0429 102.84719
1600 9.6 -1118.3705 -1423.1478 102.24647
1700 10 -1118.2462 -1423.617 102.44557
1800 11 -1118.1114 -1423.039 102.29689
1900 11 -1117.9924 -1426.4671 103.48688
2000 12 -1117.8331 -1428.4478 104.20478
Loop time of 11.5428 on 4 procs for 2000 steps with 1288 atoms
100 0.46 -1119.83 -1407.8271 96.617057
200 0.92 -1119.801 -1400.4751 94.160328
300 2 -1119.7243 -1410.8861 97.67875
400 2.4 -1119.6585 -1408.2541 96.817832
500 2.9 -1119.6526 -1408.5674 96.92494
600 3.4 -1119.6342 -1408.633 96.953119
700 3.8 -1119.5363 -1418.9222 100.43776
800 4.3 -1119.436 -1415.3458 99.271609
900 4.8 -1119.2691 -1417.3977 100.01597
1000 5.3 -1119.1088 -1413.6621 98.816536
1100 5.8 -1118.9641 -1411.446 98.121631
1200 6.2 -1118.8394 -1421.816 101.64237
1300 6.7 -1118.7366 -1420.5197 101.242
1400 7.2 -1118.6053 -1425.0807 102.81614
1500 7.7 -1118.4749 -1425.0429 102.84719
1600 8.2 -1118.3705 -1423.1478 102.24647
1700 8.7 -1118.2462 -1423.617 102.44557
1800 9.2 -1118.1114 -1423.039 102.29689
1900 9.7 -1117.9924 -1426.4671 103.48688
2000 10 -1117.8331 -1428.4478 104.20478
Loop time of 10.281 on 4 procs for 2000 steps with 1288 atoms
Pair time (%) = 4.43167 (38.3933)
Neigh time (%) = 1.91333 (16.5759)
Comm time (%) = 2.34363 (20.3038)
Outpt time (%) = 0.00645387 (0.0559124)
Other time (%) = 2.84775 (24.6711)
Pair time (%) = 4.36755 (42.4819)
Neigh time (%) = 1.87174 (18.2059)
Comm time (%) = 1.55934 (15.1673)
Outpt time (%) = 0.00647181 (0.0629494)
Other time (%) = 2.47587 (24.082)
Nlocal: 322 ave 345 max 307 min
Histogram: 1 1 0 1 0 0 0 0 0 1

8
examples/USER/atc/fluids/shear_no_atoms.screen
View File

@ -69,13 +69,13 @@ Step Temp E_pair E_mol TotEng Press
4800 0 0 0 0 0
4900 0 0 0 0 0
5000 0 0 0 0 0
Loop time of 7.10685 on 4 procs for 5000 steps with 0 atoms
Loop time of 7.58255 on 4 procs for 5000 steps with 0 atoms
Pair time (%) = 0 (0)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00348318 (0.0490116)
Outpt time (%) = 0.0230871 (0.324858)
Other time (%) = 7.08028 (99.6261)
Comm time (%) = 0.00335455 (0.0442404)
Outpt time (%) = 0.0173497 (0.228811)
Other time (%) = 7.56185 (99.7269)
Nlocal: 0 ave 0 max 0 min
Histogram: 4 0 0 0 0 0 0 0 0 0