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Updating examples

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This commit is contained in:
Joel Clemmer
2021-02-05 16:43:52 -07:00
parent 56841ba912
commit c94a740b4e
16 changed files with 20681 additions and 256 deletions
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30
examples/multi/log.30Nov20.colloid.old.intel.1
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@ -1,5 +1,5 @@
LAMMPS (30 Nov 2020)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:95)
LAMMPS (24 Dec 2020)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:97)
using 1 OpenMP thread(s) per MPI task
# Big colloid particles and small LJ particles
@ -53,9 +53,9 @@ velocity all create 1.44 87287 loop geom
# multi neighbor and comm for efficiency
neighbor 1 multi/old
neighbor 1 multi/old #multi
neigh_modify delay 0 #multi/custom 2 1*4 5
comm_modify mode multi #multi/reduce
comm_modify mode multi/old #multi multi/reduce
# colloid potential
@ -72,7 +72,7 @@ pair_coeff 5 5 39.5 1.0 20.0 20.0 30.0
fix 1 all npt temp 2.0 2.0 1.0 iso 0.0 1.0 10.0 drag 1.0 mtk no pchain 0 tchain 1
fix 2 all enforce2d
dump 1 all atom 1000 dump.colloid
#dump 1 all atom 1000 dump.colloid
#dump 2 all image 1000 image.*.jpg type type # zoom 1.5 center d 0.5 0.5 0.5
#dump_modify 2 pad 5 adiam 1 5.0 adiam 2 1.5
@ -98,7 +98,7 @@ Neighbor list info ...
pair build: half/multi/old/newton
stencil: half/multi/old/2d
bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.611 | 5.611 | 5.611 Mbytes
Per MPI rank memory allocation (min/avg/max) = 4.496 | 4.496 | 4.496 Mbytes
Step Temp E_pair TotEng Press Volume
0 1.44 0 1.4395241 0.121 36000
1000 1.8856066 -0.15771717 1.7272663 0.13840578 42574.399
@ -151,20 +151,20 @@ Step Temp E_pair TotEng Press Volume
48000 2.0283587 -0.79063641 1.237052 0.83617499 9610.9933
49000 2.0051919 -0.79078067 1.2137485 0.95651813 9411.7165
50000 2.0140985 -0.81796958 1.1954634 0.93791038 9296.069
Loop time of 29.8066 on 1 procs for 50000 steps with 3026 atoms
Loop time of 28.5339 on 1 procs for 50000 steps with 3026 atoms
Performance: 724671.093 tau/day, 1677.479 timesteps/s
Performance: 756994.490 tau/day, 1752.302 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 11.698 | 11.698 | 11.698 | 0.0 | 39.25
Neigh | 10.292 | 10.292 | 10.292 | 0.0 | 34.53
Comm | 1.405 | 1.405 | 1.405 | 0.0 | 4.71
Output | 0.11474 | 0.11474 | 0.11474 | 0.0 | 0.38
Modify | 5.3019 | 5.3019 | 5.3019 | 0.0 | 17.79
Other | | 0.9947 | | | 3.34
Pair | 10.918 | 10.918 | 10.918 | 0.0 | 38.26
Neigh | 10.375 | 10.375 | 10.375 | 0.0 | 36.36
Comm | 1.2856 | 1.2856 | 1.2856 | 0.0 | 4.51
Output | 0.0010955 | 0.0010955 | 0.0010955 | 0.0 | 0.00
Modify | 5.0132 | 5.0132 | 5.0132 | 0.0 | 17.57
Other | | 0.9412 | | | 3.30
Nlocal: 3026.00 ave 3026 max 3026 min
Histogram: 1 0 0 0 0 0 0 0 0 0
@ -180,4 +180,4 @@ Dangerous builds = 0
Please see the log.cite file for references relevant to this simulation
Total wall time: 0:00:29
Total wall time: 0:00:28