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

Updating examples

Browse Source
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
Download Patch File Download Diff File Expand all files Collapse all files

32
examples/multi/log.30Nov20.colloid.intel.1
View File

@ -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
neigh_modify delay 0 multi/custom 2 1*4 5
comm_modify mode multi multi/reduce
neighbor 1 multi #multi/old
neigh_modify delay 0 collection/type 2 1*4 5
comm_modify mode multi reduce/multi #multi/old
# 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/newton
stencil: half/multi/2d
bin: multi
Per MPI rank memory allocation (min/avg/max) = 5.538 | 5.538 | 5.538 Mbytes
Per MPI rank memory allocation (min/avg/max) = 4.385 | 4.385 | 4.385 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 2.0109636 -0.78968551 1.2206135 0.89458323 9496.7246
49000 2.0131059 -0.79687252 1.2155681 0.91239613 9418.3093
50000 2.0073361 -0.79981468 1.206858 0.98524334 9289.4715
Loop time of 20.4651 on 1 procs for 50000 steps with 3026 atoms
Loop time of 19.7532 on 1 procs for 50000 steps with 3026 atoms
Performance: 1055453.279 tau/day, 2443.179 timesteps/s
Performance: 1093493.133 tau/day, 2531.234 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 | 11.099 | 11.099 | 11.099 | 0.0 | 54.23
Neigh | 2.7536 | 2.7536 | 2.7536 | 0.0 | 13.46
Comm | 0.53353 | 0.53353 | 0.53353 | 0.0 | 2.61
Output | 0.11209 | 0.11209 | 0.11209 | 0.0 | 0.55
Modify | 5.1627 | 5.1627 | 5.1627 | 0.0 | 25.23
Other | | 0.8046 | | | 3.93
Pair | 10.789 | 10.789 | 10.789 | 0.0 | 54.62
Neigh | 2.6848 | 2.6848 | 2.6848 | 0.0 | 13.59
Comm | 0.53244 | 0.53244 | 0.53244 | 0.0 | 2.70
Output | 0.0010482 | 0.0010482 | 0.0010482 | 0.0 | 0.01
Modify | 4.9599 | 4.9599 | 4.9599 | 0.0 | 25.11
Other | | 0.7856 | | | 3.98
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: 0:00:20
Total wall time: 0:00:19