remove outdated log files, too.
This commit is contained in:
Axel Kohlmeyer
@ -1,82 +0,0 @@
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LAMMPS (9 Nov 2016)
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using 1 OpenMP thread(s) per MPI task
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processors * * 1
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units metal
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boundary p p f
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read_data adatom.data
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orthogonal box = (0 0 0) to (17.1214 14.8276 39.3197)
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1 by 1 by 1 MPI processor grid
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reading atoms ...
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181 atoms
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pair_style agni
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pair_coeff * * Al_prb.agni Al
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Reading potential file Al_prb.agni with DATE: 2016-11-11
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neighbor 0.3 bin
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neigh_modify delay 2 check yes
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timestep 0.0005
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velocity all create 500 12345
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fix 1 all nvt temp 250 250 0.2
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fix 5 all momentum 1 linear 1 1 1
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thermo 100
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thermo_style custom step ke temp
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# dump MyDump all custom 250 dump.atoms id type x y z vx vy vz fx fy fz
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run 1000
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Neighbor list info ...
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1 neighbor list requests
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update every 1 steps, delay 2 steps, check yes
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max neighbors/atom: 2000, page size: 100000
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master list distance cutoff = 8.3
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ghost atom cutoff = 8.3
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binsize = 4.15 -> bins = 5 4 10
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Memory usage per processor = 2.37049 Mbytes
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Step KinEng Temp
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0 11.633413 500
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100 4.049974 174.06646
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200 5.8983472 253.50889
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300 5.3667309 230.66021
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400 4.9343935 212.0785
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500 5.4054496 232.32432
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600 6.1779127 265.52452
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700 6.3749266 273.9921
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800 6.0701481 260.89283
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900 6.4582394 277.57286
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1000 6.4047444 275.27366
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Loop time of 20.8273 on 1 procs for 1000 steps with 181 atoms
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Performance: 2.074 ns/day, 11.571 hours/ns, 48.014 timesteps/s
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100.0% CPU use with 1 MPI tasks x 1 OpenMP threads
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MPI task timing breakdown:
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Section | min time | avg time | max time |%varavg| %total
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---------------------------------------------------------------
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Pair | 20.79 | 20.79 | 20.79 | 0.0 | 99.82
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Neigh | 0.022742 | 0.022742 | 0.022742 | 0.0 | 0.11
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Comm | 0.0040836 | 0.0040836 | 0.0040836 | 0.0 | 0.02
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Output | 0.00011086 | 0.00011086 | 0.00011086 | 0.0 | 0.00
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Modify | 0.0089345 | 0.0089345 | 0.0089345 | 0.0 | 0.04
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Other | | 0.001819 | | | 0.01
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Nlocal: 181 ave 181 max 181 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Nghost: 562 ave 562 max 562 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Neighs: 0 ave 0 max 0 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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FullNghs: 18810 ave 18810 max 18810 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 18810
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Ave neighs/atom = 103.923
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Neighbor list builds = 33
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Dangerous builds = 0
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Please see the log.cite file for references relevant to this simulation
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Total wall time: 0:00:20
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@ -1,82 +0,0 @@
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LAMMPS (9 Nov 2016)
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using 1 OpenMP thread(s) per MPI task
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processors * * 1
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units metal
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boundary p p f
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read_data adatom.data
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orthogonal box = (0 0 0) to (17.1214 14.8276 39.3197)
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2 by 2 by 1 MPI processor grid
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reading atoms ...
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181 atoms
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pair_style agni
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pair_coeff * * Al_prb.agni Al
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Reading potential file Al_prb.agni with DATE: 2016-11-11
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neighbor 0.3 bin
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neigh_modify delay 2 check yes
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timestep 0.0005
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velocity all create 500 12345
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fix 1 all nvt temp 250 250 0.2
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fix 5 all momentum 1 linear 1 1 1
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thermo 100
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thermo_style custom step ke temp
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# dump MyDump all custom 250 dump.atoms id type x y z vx vy vz fx fy fz
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run 1000
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Neighbor list info ...
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1 neighbor list requests
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update every 1 steps, delay 2 steps, check yes
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max neighbors/atom: 2000, page size: 100000
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master list distance cutoff = 8.3
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ghost atom cutoff = 8.3
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binsize = 4.15 -> bins = 5 4 10
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Memory usage per processor = 2.48695 Mbytes
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Step KinEng Temp
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0 11.633413 500
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100 4.049974 174.06646
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200 5.8983472 253.50889
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300 5.3667309 230.66021
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400 4.9343935 212.0785
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500 5.4054496 232.32432
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600 6.1779127 265.52451
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700 6.3749266 273.9921
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800 6.0701481 260.89283
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900 6.4582394 277.57286
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1000 6.4047444 275.27366
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Loop time of 5.96868 on 4 procs for 1000 steps with 181 atoms
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Performance: 7.238 ns/day, 3.316 hours/ns, 167.541 timesteps/s
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99.9% CPU use with 4 MPI tasks x 1 OpenMP threads
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MPI task timing breakdown:
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Section | min time | avg time | max time |%varavg| %total
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---------------------------------------------------------------
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Pair | 5.4176 | 5.4602 | 5.5505 | 2.3 | 91.48
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Neigh | 0.0056074 | 0.0060464 | 0.0062635 | 0.3 | 0.10
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Comm | 0.39544 | 0.48696 | 0.53111 | 7.9 | 8.16
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Output | 0.0001545 | 0.00015736 | 0.0001595 | 0.0 | 0.00
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Modify | 0.010492 | 0.011565 | 0.012588 | 0.9 | 0.19
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Other | | 0.003794 | | | 0.06
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Nlocal: 45.25 ave 47 max 42 min
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Histogram: 1 0 0 0 0 0 0 0 2 1
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Nghost: 374.75 ave 380 max 373 min
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Histogram: 3 0 0 0 0 0 0 0 0 1
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Neighs: 0 ave 0 max 0 min
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Histogram: 4 0 0 0 0 0 0 0 0 0
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FullNghs: 4702.5 ave 4868 max 4389 min
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Histogram: 1 0 0 0 0 0 0 1 1 1
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Total # of neighbors = 18810
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Ave neighs/atom = 103.923
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Neighbor list builds = 33
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Dangerous builds = 0
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Please see the log.cite file for references relevant to this simulation
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Total wall time: 0:00:05
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@ -1,82 +0,0 @@
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LAMMPS (9 Nov 2016)
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using 1 OpenMP thread(s) per MPI task
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units metal
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boundary p p p
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read_data vac.data
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orthogonal box = (0 0 0) to (8.07113 8.07113 8.07113)
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1 by 1 by 1 MPI processor grid
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reading atoms ...
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31 atoms
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pair_style agni
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pair_coeff * * Al_prb.agni Al
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Reading potential file Al_prb.agni with DATE: 2016-11-11
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neighbor 0.3 bin
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neigh_modify delay 2 check yes
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timestep 0.0005
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velocity all create 1000 12345
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fix 1 all nvt temp 900 900 200
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fix 5 all momentum 1 linear 1 1 1
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thermo 100
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thermo_style custom step ke etotal temp
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# dump MyDump all custom 250 dump.atoms id type x y z vx vy vz fx fy fz
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run 1000
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Neighbor list info ...
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1 neighbor list requests
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update every 1 steps, delay 2 steps, check yes
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max neighbors/atom: 2000, page size: 100000
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master list distance cutoff = 8.3
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ghost atom cutoff = 8.3
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binsize = 4.15 -> bins = 2 2 2
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Memory usage per processor = 2.40842 Mbytes
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Step KinEng TotEng Temp
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0 3.8778043 3.8778043 1000
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100 2.8126642 2.8126642 725.32391
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200 3.7110413 3.7110413 956.9955
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300 3.2361084 3.2361084 834.52081
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400 3.4625769 3.4625769 892.92201
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500 3.4563307 3.4563307 891.31126
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600 2.8486344 2.8486344 734.59982
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700 3.1183057 3.1183057 804.14208
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800 2.9164818 2.9164818 752.09618
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900 3.464416 3.464416 893.39629
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1000 3.5954546 3.5954546 927.18825
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Loop time of 3.86777 on 1 procs for 1000 steps with 31 atoms
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Performance: 11.169 ns/day, 2.149 hours/ns, 258.547 timesteps/s
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99.9% CPU use with 1 MPI tasks x 1 OpenMP threads
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MPI task timing breakdown:
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Section | min time | avg time | max time |%varavg| %total
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---------------------------------------------------------------
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Pair | 3.8463 | 3.8463 | 3.8463 | 0.0 | 99.44
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Neigh | 0.011294 | 0.011294 | 0.011294 | 0.0 | 0.29
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Comm | 0.0057271 | 0.0057271 | 0.0057271 | 0.0 | 0.15
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Output | 0.00014257 | 0.00014257 | 0.00014257 | 0.0 | 0.00
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Modify | 0.0029459 | 0.0029459 | 0.0029459 | 0.0 | 0.08
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Other | | 0.001395 | | | 0.04
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Nlocal: 31 ave 31 max 31 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Nghost: 878 ave 878 max 878 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Neighs: 0 ave 0 max 0 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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FullNghs: 4334 ave 4334 max 4334 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 4334
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Ave neighs/atom = 139.806
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Neighbor list builds = 51
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Dangerous builds = 0
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Please see the log.cite file for references relevant to this simulation
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Total wall time: 0:00:03
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@ -1,82 +0,0 @@
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LAMMPS (9 Nov 2016)
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using 1 OpenMP thread(s) per MPI task
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units metal
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boundary p p p
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read_data vac.data
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orthogonal box = (0 0 0) to (8.07113 8.07113 8.07113)
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1 by 2 by 2 MPI processor grid
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reading atoms ...
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31 atoms
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pair_style agni
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pair_coeff * * Al_prb.agni Al
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Reading potential file Al_prb.agni with DATE: 2016-11-11
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neighbor 0.3 bin
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neigh_modify delay 2 check yes
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timestep 0.0005
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velocity all create 1000 12345
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fix 1 all nvt temp 900 900 200
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fix 5 all momentum 1 linear 1 1 1
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thermo 100
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thermo_style custom step ke etotal temp
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# dump MyDump all custom 250 dump.atoms id type x y z vx vy vz fx fy fz
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run 1000
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Neighbor list info ...
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1 neighbor list requests
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update every 1 steps, delay 2 steps, check yes
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max neighbors/atom: 2000, page size: 100000
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master list distance cutoff = 8.3
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ghost atom cutoff = 8.3
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binsize = 4.15 -> bins = 2 2 2
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Memory usage per processor = 2.3974 Mbytes
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Step KinEng TotEng Temp
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0 3.8778044 3.8778044 1000
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100 2.8126642 2.8126642 725.32391
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200 3.7110413 3.7110413 956.99549
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300 3.2361084 3.2361084 834.52081
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400 3.4625769 3.4625769 892.92201
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500 3.4563307 3.4563307 891.31126
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600 2.8486343 2.8486343 734.59981
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700 3.1183057 3.1183057 804.14208
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800 2.9164819 2.9164819 752.09618
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900 3.4644161 3.4644161 893.39631
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1000 3.5954546 3.5954546 927.18824
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Loop time of 1.11007 on 4 procs for 1000 steps with 31 atoms
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Performance: 38.916 ns/day, 0.617 hours/ns, 900.843 timesteps/s
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99.8% CPU use with 4 MPI tasks x 1 OpenMP threads
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MPI task timing breakdown:
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Section | min time | avg time | max time |%varavg| %total
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---------------------------------------------------------------
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Pair | 0.906 | 0.99469 | 1.0291 | 5.1 | 89.61
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Neigh | 0.0026186 | 0.0027665 | 0.0028622 | 0.2 | 0.25
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Comm | 0.066125 | 0.10079 | 0.1896 | 16.2 | 9.08
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Output | 0.00012875 | 0.00014615 | 0.00018787 | 0.2 | 0.01
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Modify | 0.0080338 | 0.0083079 | 0.00861 | 0.2 | 0.75
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Other | | 0.003372 | | | 0.30
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Nlocal: 7.75 ave 8 max 7 min
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Histogram: 1 0 0 0 0 0 0 0 0 3
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Nghost: 623.5 ave 630 max 616 min
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Histogram: 1 0 0 0 0 2 0 0 0 1
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Neighs: 0 ave 0 max 0 min
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Histogram: 4 0 0 0 0 0 0 0 0 0
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FullNghs: 1083.5 ave 1131 max 988 min
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Histogram: 1 0 0 0 0 0 0 1 1 1
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Total # of neighbors = 4334
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Ave neighs/atom = 139.806
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Neighbor list builds = 51
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Dangerous builds = 0
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Please see the log.cite file for references relevant to this simulation
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Total wall time: 0:00:01
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Reference in New Issue
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