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update examples for consistency

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This commit is contained in:
Axel Kohlmeyer
2025-03-10 17:11:53 -04:00
parent 01698ddc2e
commit 1e819efcf8
7 changed files with 78 additions and 78 deletions
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18
examples/SPIN/read_restart/log.10Mar25.spin.read_data.g++.1
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LAMMPS (4 Feb 2025 - Development - patch_4Feb2025-210-g8af31ca28c-modified) LAMMPS (4 Feb 2025 - Development - patch_4Feb2025-212-g01698ddc2e-modified)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:99) OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:99)
using 1 OpenMP thread(s) per MPI task using 1 OpenMP thread(s) per MPI task
units metal units metal
@ -105,20 +105,20 @@ Per MPI rank memory allocation (min/avg/max) = 9.082 | 9.082 | 9.082 Mbytes
60 0.006 0.995669394598344 69647.7523345612 -845.585158124559 36.100016238044 177502.681559427 116614.166097826 60 0.006 0.995669394598344 69647.7523345612 -845.585158124559 36.100016238044 177502.681559427 116614.166097826
80 0.008 0.995669395756676 107415.560454437 -846.200871523815 37.9775024824566 35031.4099604677 116684.714477685 80 0.008 0.995669395756676 107415.560454437 -846.200871523815 37.9775024824566 35031.4099604677 116684.714477685
100 0.01 0.995669403283478 63849.6798250643 -836.341677782106 39.680777051272 199492.565587335 116634.518317396 100 0.01 0.995669403283478 63849.6798250643 -836.341677782106 39.680777051272 199492.565587335 116634.518317396
Loop time of 2.9685 on 1 procs for 100 steps with 2048 atoms Loop time of 2.97847 on 1 procs for 100 steps with 2048 atoms
Performance: 0.291 ns/day, 82.458 hours/ns, 33.687 timesteps/s, 68.991 katom-step/s Performance: 0.290 ns/day, 82.735 hours/ns, 33.574 timesteps/s, 68.760 katom-step/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads 99.6% CPU use with 1 MPI tasks x 1 OpenMP threads
MPI task timing breakdown: MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total Section | min time | avg time | max time |%varavg| %total
--------------------------------------------------------------- ---------------------------------------------------------------
Pair | 1.0382 | 1.0382 | 1.0382 | 0.0 | 34.97 Pair | 1.0361 | 1.0361 | 1.0361 | 0.0 | 34.79
Neigh | 0.78323 | 0.78323 | 0.78323 | 0.0 | 26.38 Neigh | 0.78559 | 0.78559 | 0.78559 | 0.0 | 26.38
Comm | 0.013266 | 0.013266 | 0.013266 | 0.0 | 0.45 Comm | 0.013262 | 0.013262 | 0.013262 | 0.0 | 0.45
Output | 0.00021367 | 0.00021367 | 0.00021367 | 0.0 | 0.01 Output | 0.00026908 | 0.00026908 | 0.00026908 | 0.0 | 0.01
Modify | 1.1318 | 1.1318 | 1.1318 | 0.0 | 38.13 Modify | 1.1415 | 1.1415 | 1.1415 | 0.0 | 38.33
Other | | 0.00176 | | | 0.06 Other | | 0.001761 | | | 0.06
Nlocal: 2048 ave 2048 max 2048 min Nlocal: 2048 ave 2048 max 2048 min
Histogram: 1 0 0 0 0 0 0 0 0 0 Histogram: 1 0 0 0 0 0 0 0 0 0

18
examples/SPIN/read_restart/log.10Mar25.spin.read_data.g++.4
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LAMMPS (4 Feb 2025 - Development - patch_4Feb2025-210-g8af31ca28c-modified) LAMMPS (4 Feb 2025 - Development - patch_4Feb2025-212-g01698ddc2e-modified)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:99) OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:99)
using 1 OpenMP thread(s) per MPI task using 1 OpenMP thread(s) per MPI task
units metal units metal
@ -105,20 +105,20 @@ Per MPI rank memory allocation (min/avg/max) = 5.812 | 5.812 | 5.812 Mbytes
60 0.006 0.99566940895435 69647.7523345112 -845.585157291247 36.1001312564486 177502.681560664 116614.166098104 60 0.006 0.99566940895435 69647.7523345112 -845.585157291247 36.1001312564486 177502.681560664 116614.166098104
80 0.008 0.995669417344697 107415.560454912 -846.200874451992 37.9776090859263 35031.4099596403 116684.714477941 80 0.008 0.995669417344697 107415.560454912 -846.200874451992 37.9776090859263 35031.4099596403 116684.714477941
100 0.01 0.995669427709463 63849.6798245944 -836.341678212079 39.6809090980074 199492.565591024 116634.518317902 100 0.01 0.995669427709463 63849.6798245944 -836.341678212079 39.6809090980074 199492.565591024 116634.518317902
Loop time of 0.981181 on 4 procs for 100 steps with 2048 atoms Loop time of 0.991506 on 4 procs for 100 steps with 2048 atoms
Performance: 0.881 ns/day, 27.255 hours/ns, 101.918 timesteps/s, 208.728 katom-step/s Performance: 0.871 ns/day, 27.542 hours/ns, 100.857 timesteps/s, 206.554 katom-step/s
99.0% CPU use with 4 MPI tasks x 1 OpenMP threads 99.0% CPU use with 4 MPI tasks x 1 OpenMP threads
MPI task timing breakdown: MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total Section | min time | avg time | max time |%varavg| %total
--------------------------------------------------------------- ---------------------------------------------------------------
Pair | 0.3068 | 0.31135 | 0.31472 | 0.5 | 31.73 Pair | 0.31016 | 0.31287 | 0.31496 | 0.3 | 31.56
Neigh | 0.21997 | 0.22967 | 0.23853 | 1.6 | 23.41 Neigh | 0.21999 | 0.22957 | 0.23793 | 1.7 | 23.15
Comm | 0.013651 | 0.026146 | 0.03694 | 6.4 | 2.66 Comm | 0.015231 | 0.025975 | 0.036137 | 6.0 | 2.62
Output | 0.00010966 | 0.0001265 | 0.00017442 | 0.0 | 0.01 Output | 0.00012037 | 0.00014855 | 0.0001849 | 0.0 | 0.01
Modify | 0.41246 | 0.41281 | 0.41313 | 0.0 | 42.07 Modify | 0.4213 | 0.42166 | 0.42201 | 0.0 | 42.53
Other | | 0.001083 | | | 0.11 Other | | 0.001272 | | | 0.13
Nlocal: 512 ave 521 max 503 min Nlocal: 512 ave 521 max 503 min
Histogram: 2 0 0 0 0 0 0 0 0 2 Histogram: 2 0 0 0 0 0 0 0 0 2

35
examples/SPIN/read_restart/log.10Mar25.spin.restart.g++.1
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LAMMPS (4 Feb 2025 - Development - patch_4Feb2025-209-g9c494d0a25-modified) LAMMPS (4 Feb 2025 - Development - patch_4Feb2025-212-g01698ddc2e-modified)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:99) OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:99)
using 1 OpenMP thread(s) per MPI task using 1 OpenMP thread(s) per MPI task
# start a spin-lattice simulation from a data file # start a spin-lattice simulation from a data file
@ -14,13 +14,12 @@ atom_modify map array
read_restart restart_hcp_cobalt.equil read_restart restart_hcp_cobalt.equil
Reading restart file ... Reading restart file ...
restart file = 4 Feb 2025, LAMMPS = 4 Feb 2025 restart file = 4 Feb 2025, LAMMPS = 4 Feb 2025
WARNING: Restart file used different # of processors: 4 vs. 1 (src/read_restart.cpp:628)
restoring atom style spin from restart restoring atom style spin from restart
orthogonal box = (0 0 0) to (12.5355 21.712123 20.470386) orthogonal box = (0 0 0) to (12.5355 21.712123 20.470386)
1 by 1 by 1 MPI processor grid 1 by 1 by 1 MPI processor grid
restoring pair style spin/exchange from restart restoring pair style spin/exchange from restart
500 atoms 500 atoms
read_restart CPU = 0.001 seconds read_restart CPU = 0.000 seconds
# setting mass, mag. moments, and interactions # setting mass, mag. moments, and interactions
@ -99,26 +98,26 @@ Neighbor list info ...
WARNING: Dump 100 includes no atom IDs and is not sorted by ID. This may complicate post-processing tasks or visualization (src/dump.cpp:220) WARNING: Dump 100 includes no atom IDs and is not sorted by ID. This may complicate post-processing tasks or visualization (src/dump.cpp:220)
Per MPI rank memory allocation (min/avg/max) = 5.255 | 5.255 | 5.255 Mbytes Per MPI rank memory allocation (min/avg/max) = 5.255 | 5.255 | 5.255 Mbytes
Step Time v_magnorm PotEng v_emag v_tmag Temp TotEng Step Time v_magnorm PotEng v_emag v_tmag Temp TotEng
1000 0.1 0.108329626151838 -2200.38234464056 -5.38239240501934 2538.4004919406 0 -2200.38234464056 1000 0.1 0.0932563992120983 -2200.23506043127 -5.23510819573568 2608.1272233749 0 -2200.23506043127
1020 0.102 0.108329682386499 -2200.39166154869 -5.39173355873446 2513.35505416838 0.14443948124536 -2200.38234508481 1020 0.102 0.0932564226983496 -2200.24431693921 -5.24438874766875 2636.89284253705 0.143502110493468 -2200.23506093651
1040 0.104 0.108329779277802 -2200.41807807023 -5.41850411117855 2478.80774498816 0.553977603827987 -2200.38234606476 1040 0.104 0.0932564330551733 -2200.27026761331 -5.27068764778909 2646.09012775508 0.545814389665464 -2200.23506214178
1060 0.106 0.10832983679925 -2200.45800593865 -5.45989595459997 2449.72742607971 1.1729875955989 -2200.38234728585 1060 0.106 0.0932564065525508 -2200.30841491752 -5.31025431862422 2627.26990645217 1.13721564075693 -2200.23506358487
1080 0.108 0.108329813608032 -2200.50691109393 -5.5124931569671 2427.22111176668 1.93117695188971 -2200.38234861173 1080 0.108 0.0932563850278094 -2200.35339675793 -5.35874497582981 2585.24230543411 1.83458183455181 -2200.23506473927
1100 0.11 0.108329744840252 -2200.5598219415 -5.57257298837707 2400.88858161056 2.75147127466091 -2200.38234980911 1100 0.11 0.0932563977118321 -2200.40087596139 -5.41289411193204 2540.00857034711 2.5706738278606 -2200.23506541119
Loop time of 0.469378 on 1 procs for 100 steps with 500 atoms Loop time of 0.473574 on 1 procs for 100 steps with 500 atoms
Performance: 1.841 ns/day, 13.038 hours/ns, 213.048 timesteps/s, 106.524 katom-step/s Performance: 1.824 ns/day, 13.155 hours/ns, 211.160 timesteps/s, 105.580 katom-step/s
99.2% CPU use with 1 MPI tasks x 1 OpenMP threads 98.4% CPU use with 1 MPI tasks x 1 OpenMP threads
MPI task timing breakdown: MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total Section | min time | avg time | max time |%varavg| %total
--------------------------------------------------------------- ---------------------------------------------------------------
Pair | 0.12016 | 0.12016 | 0.12016 | 0.0 | 25.60 Pair | 0.12025 | 0.12025 | 0.12025 | 0.0 | 25.39
Neigh | 0.1469 | 0.1469 | 0.1469 | 0.0 | 31.30 Neigh | 0.14912 | 0.14912 | 0.14912 | 0.0 | 31.49
Comm | 0.0045348 | 0.0045348 | 0.0045348 | 0.0 | 0.97 Comm | 0.0047587 | 0.0047587 | 0.0047587 | 0.0 | 1.00
Output | 0.071711 | 0.071711 | 0.071711 | 0.0 | 15.28 Output | 0.07234 | 0.07234 | 0.07234 | 0.0 | 15.28
Modify | 0.12549 | 0.12549 | 0.12549 | 0.0 | 26.74 Modify | 0.12645 | 0.12645 | 0.12645 | 0.0 | 26.70
Other | | 0.0005849 | | | 0.12 Other | | 0.0006494 | | | 0.14
Nlocal: 500 ave 500 max 500 min Nlocal: 500 ave 500 max 500 min
Histogram: 1 0 0 0 0 0 0 0 0 0 Histogram: 1 0 0 0 0 0 0 0 0 0

49
examples/SPIN/read_restart/log.10Mar25.spin.restart.g++.4
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LAMMPS (4 Feb 2025 - Development - patch_4Feb2025-209-g9c494d0a25-modified) LAMMPS (4 Feb 2025 - Development - patch_4Feb2025-212-g01698ddc2e-modified)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:99) OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:99)
using 1 OpenMP thread(s) per MPI task using 1 OpenMP thread(s) per MPI task
# start a spin-lattice simulation from a data file # start a spin-lattice simulation from a data file
@ -14,6 +14,7 @@ atom_modify map array
read_restart restart_hcp_cobalt.equil read_restart restart_hcp_cobalt.equil
Reading restart file ... Reading restart file ...
restart file = 4 Feb 2025, LAMMPS = 4 Feb 2025 restart file = 4 Feb 2025, LAMMPS = 4 Feb 2025
WARNING: Restart file used different # of processors: 1 vs. 4 (src/read_restart.cpp:628)
restoring atom style spin from restart restoring atom style spin from restart
orthogonal box = (0 0 0) to (12.5355 21.712123 20.470386) orthogonal box = (0 0 0) to (12.5355 21.712123 20.470386)
1 by 2 by 2 MPI processor grid 1 by 2 by 2 MPI processor grid
@ -98,35 +99,35 @@ Neighbor list info ...
WARNING: Dump 100 includes no atom IDs and is not sorted by ID. This may complicate post-processing tasks or visualization (src/dump.cpp:220) WARNING: Dump 100 includes no atom IDs and is not sorted by ID. This may complicate post-processing tasks or visualization (src/dump.cpp:220)
Per MPI rank memory allocation (min/avg/max) = 5.188 | 5.188 | 5.188 Mbytes Per MPI rank memory allocation (min/avg/max) = 5.188 | 5.188 | 5.188 Mbytes
Step Time v_magnorm PotEng v_emag v_tmag Temp TotEng Step Time v_magnorm PotEng v_emag v_tmag Temp TotEng
1000 0.1 0.108329626151837 -2200.38234464016 -5.38239240501934 2538.4004919406 0 -2200.38234464016 1000 0.1 0.0932563992120983 -2200.23506043087 -5.23510819573568 2608.1272233749 0 -2200.23506043087
1020 0.102 0.108329679130501 -2200.39166154883 -5.39173355888088 2513.35482198786 0.144439483520248 -2200.3823450848 1020 0.102 0.0932564663999882 -2200.24431693996 -5.24438874845296 2636.89226887198 0.14350212264756 -2200.23506093648
1040 0.104 0.108329711621363 -2200.41807807205 -5.41850411300556 2478.80746282814 0.553977632037396 -2200.38234606475 1040 0.104 0.0932565837400281 -2200.27026761822 -5.27068765273516 2646.08966888271 0.545814465748645 -2200.23506214179
1060 0.106 0.108329705919754 -2200.4580059451 -5.45989596110734 2449.72703106051 1.17298769526935 -2200.38234728587 1060 0.106 0.0932567073488227 -2200.30841492456 -5.31025432590717 2627.27001685206 1.13721574991944 -2200.23506358486
1080 0.108 0.108329685101234 -2200.50691110405 -5.51249316740617 2427.22060141747 1.93117710885529 -2200.38234861172 1080 0.108 0.0932567401022577 -2200.35339675946 -5.35874497805351 2585.24242001276 1.83458185842719 -2200.23506473925
1100 0.11 0.108329648174842 -2200.55982193806 -5.57257298547573 2400.88784946371 2.75147122140813 -2200.38234980911 1100 0.11 0.0932566884738387 -2200.4008759633 -5.41289411525345 2540.00813568378 2.57067385759474 -2200.23506541119
Loop time of 0.170658 on 4 procs for 100 steps with 500 atoms Loop time of 0.180477 on 4 procs for 100 steps with 500 atoms
Performance: 5.063 ns/day, 4.740 hours/ns, 585.968 timesteps/s, 292.984 katom-step/s Performance: 4.787 ns/day, 5.013 hours/ns, 554.088 timesteps/s, 277.044 katom-step/s
97.6% CPU use with 4 MPI tasks x 1 OpenMP threads 97.3% CPU use with 4 MPI tasks x 1 OpenMP threads
MPI task timing breakdown: MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total Section | min time | avg time | max time |%varavg| %total
--------------------------------------------------------------- ---------------------------------------------------------------
Pair | 0.031046 | 0.031556 | 0.031914 | 0.2 | 18.49 Pair | 0.033968 | 0.034363 | 0.035109 | 0.2 | 19.04
Neigh | 0.036174 | 0.036592 | 0.037219 | 0.2 | 21.44 Neigh | 0.035043 | 0.03728 | 0.040013 | 0.9 | 20.66
Comm | 0.0051867 | 0.0053356 | 0.0055157 | 0.2 | 3.13 Comm | 0.0049574 | 0.0073867 | 0.0089549 | 1.7 | 4.09
Output | 0.020206 | 0.022625 | 0.025235 | 1.2 | 13.26 Output | 0.021087 | 0.023594 | 0.026417 | 1.3 | 13.07
Modify | 0.071608 | 0.074173 | 0.076565 | 0.7 | 43.46 Modify | 0.074785 | 0.07749 | 0.079892 | 0.7 | 42.94
Other | | 0.0003758 | | | 0.22 Other | | 0.0003627 | | | 0.20
Nlocal: 125 ave 127 max 122 min Nlocal: 125 ave 136 max 117 min
Histogram: 1 0 0 0 1 0 0 0 0 2 Histogram: 1 0 1 0 1 0 0 0 0 1
Nghost: 1387 ave 1390 max 1385 min Nghost: 1387 ave 1395 max 1376 min
Histogram: 2 0 0 0 0 0 1 0 0 1 Histogram: 1 0 0 0 0 1 0 1 0 1
Neighs: 9125 ave 9271 max 8945 min Neighs: 9125 ave 9972 max 8559 min
Histogram: 1 0 0 1 0 0 0 0 1 1 Histogram: 1 0 1 1 0 0 0 0 0 1
FullNghs: 18250 ave 18542 max 17812 min FullNghs: 18250 ave 19856 max 17082 min
Histogram: 1 0 0 0 1 0 0 0 0 2 Histogram: 1 0 1 0 1 0 0 0 0 1
Total # of neighbors = 73000 Total # of neighbors = 73000
Ave neighs/atom = 146 Ave neighs/atom = 146

18
examples/SPIN/read_restart/log.10Mar25.spin.write_restart.g++.1
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@ -1,4 +1,4 @@
LAMMPS (4 Feb 2025 - Development - patch_4Feb2025-209-g9c494d0a25-modified) LAMMPS (4 Feb 2025 - Development - patch_4Feb2025-212-g01698ddc2e-modified)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:99) OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:99)
using 1 OpenMP thread(s) per MPI task using 1 OpenMP thread(s) per MPI task
# fcc cobalt in a 3d periodic box # fcc cobalt in a 3d periodic box
@ -108,20 +108,20 @@ Per MPI rank memory allocation (min/avg/max) = 4.78 | 4.78 | 4.78 Mbytes
800 0.08 0.091698615 -4.028707 -4.028707 0 -4.028707 800 0.08 0.091698615 -4.028707 -4.028707 0 -4.028707
900 0.09 0.090031988 -4.6007241 -4.6007241 0 -4.6007241 900 0.09 0.090031988 -4.6007241 -4.6007241 0 -4.6007241
1000 0.1 0.093256399 -5.2351082 -5.2351082 0 -5.2351082 1000 0.1 0.093256399 -5.2351082 -5.2351082 0 -5.2351082
Loop time of 0.710237 on 1 procs for 1000 steps with 500 atoms Loop time of 0.710555 on 1 procs for 1000 steps with 500 atoms
Performance: 12.165 ns/day, 1.973 hours/ns, 1407.980 timesteps/s, 703.990 katom-step/s Performance: 12.160 ns/day, 1.974 hours/ns, 1407.350 timesteps/s, 703.675 katom-step/s
99.5% CPU use with 1 MPI tasks x 1 OpenMP threads 99.6% CPU use with 1 MPI tasks x 1 OpenMP threads
MPI task timing breakdown: MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total Section | min time | avg time | max time |%varavg| %total
--------------------------------------------------------------- ---------------------------------------------------------------
Pair | 0.12753 | 0.12753 | 0.12753 | 0.0 | 17.96 Pair | 0.12852 | 0.12852 | 0.12852 | 0.0 | 18.09
Neigh | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00
Comm | 0.012846 | 0.012846 | 0.012846 | 0.0 | 1.81 Comm | 0.012387 | 0.012387 | 0.012387 | 0.0 | 1.74
Output | 0.00014416 | 0.00014416 | 0.00014416 | 0.0 | 0.02 Output | 0.00014522 | 0.00014522 | 0.00014522 | 0.0 | 0.02
Modify | 0.56854 | 0.56854 | 0.56854 | 0.0 | 80.05 Modify | 0.56835 | 0.56835 | 0.56835 | 0.0 | 79.99
Other | | 0.001178 | | | 0.17 Other | | 0.001145 | | | 0.16
Nlocal: 500 ave 500 max 500 min Nlocal: 500 ave 500 max 500 min
Histogram: 1 0 0 0 0 0 0 0 0 0 Histogram: 1 0 0 0 0 0 0 0 0 0

18
examples/SPIN/read_restart/log.10Mar25.spin.write_restart.g++.4
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@ -1,4 +1,4 @@
LAMMPS (4 Feb 2025 - Development - patch_4Feb2025-209-g9c494d0a25-modified) LAMMPS (4 Feb 2025 - Development - patch_4Feb2025-212-g01698ddc2e-modified)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:99) OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:99)
using 1 OpenMP thread(s) per MPI task using 1 OpenMP thread(s) per MPI task
# fcc cobalt in a 3d periodic box # fcc cobalt in a 3d periodic box
@ -108,20 +108,20 @@ Per MPI rank memory allocation (min/avg/max) = 4.732 | 4.732 | 4.733 Mbytes
800 0.08 0.097960251 -3.9343481 -3.9343481 0 -3.9343481 800 0.08 0.097960251 -3.9343481 -3.9343481 0 -3.9343481
900 0.09 0.10193598 -4.7944099 -4.7944099 0 -4.7944099 900 0.09 0.10193598 -4.7944099 -4.7944099 0 -4.7944099
1000 0.1 0.10832963 -5.3823924 -5.3823924 0 -5.3823924 1000 0.1 0.10832963 -5.3823924 -5.3823924 0 -5.3823924
Loop time of 0.391762 on 4 procs for 1000 steps with 500 atoms Loop time of 0.40066 on 4 procs for 1000 steps with 500 atoms
Performance: 22.054 ns/day, 1.088 hours/ns, 2552.571 timesteps/s, 1.276 Matom-step/s Performance: 21.564 ns/day, 1.113 hours/ns, 2495.885 timesteps/s, 1.248 Matom-step/s
98.1% CPU use with 4 MPI tasks x 1 OpenMP threads 97.9% CPU use with 4 MPI tasks x 1 OpenMP threads
MPI task timing breakdown: MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total Section | min time | avg time | max time |%varavg| %total
--------------------------------------------------------------- ---------------------------------------------------------------
Pair | 0.031554 | 0.032024 | 0.032587 | 0.2 | 8.17 Pair | 0.032435 | 0.033013 | 0.033957 | 0.3 | 8.24
Neigh | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00
Comm | 0.014944 | 0.015944 | 0.016873 | 0.6 | 4.07 Comm | 0.016106 | 0.016898 | 0.017915 | 0.5 | 4.22
Output | 0.00010694 | 0.00012063 | 0.00015425 | 0.0 | 0.03 Output | 0.00012331 | 0.00013523 | 0.00016852 | 0.0 | 0.03
Modify | 0.34232 | 0.34279 | 0.34327 | 0.1 | 87.50 Modify | 0.34913 | 0.34974 | 0.35017 | 0.1 | 87.29
Other | | 0.0008836 | | | 0.23 Other | | 0.0008755 | | | 0.22
Nlocal: 125 ave 125 max 125 min Nlocal: 125 ave 125 max 125 min
Histogram: 4 0 0 0 0 0 0 0 0 0 Histogram: 4 0 0 0 0 0 0 0 0 0

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examples/SPIN/read_restart/restart_hcp_cobalt.equil
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