From ccdfde497891f4ba4b896579fb8c1a972c9a9af6 Mon Sep 17 00:00:00 2001
From: PabloPiaggi <ppiaggi@gmail.com>
Date: Wed, 30 Jan 2019 15:16:35 +0100
Subject: [PATCH] Update example log file
---
examples/USER/misc/entropy/log.entropy | 68 +++++++++++++-------------
1 file changed, 34 insertions(+), 34 deletions(-)
diff --git a/examples/USER/misc/entropy/log.entropy b/examples/USER/misc/entropy/log.entropy
index c380c62a73..333214ada8 100644
--- a/examples/USER/misc/entropy/log.entropy
+++ b/examples/USER/misc/entropy/log.entropy
@@ -1,4 +1,4 @@
-LAMMPS (30 Mar 2018)
+LAMMPS (4 Jan 2019)
units metal
atom_style full
@@ -45,10 +45,10 @@ fix 1 all nph x 1. 1. 10.
fix 2 all temp/csvr 350. 350. 0.1 64582
run 1000
-WARNING: More than one compute entropy/atom (../compute_entropy_atom.cpp:138)
-WARNING: More than one compute entropy/atom (../compute_entropy_atom.cpp:138)
-WARNING: More than one compute entropy/atom (../compute_entropy_atom.cpp:138)
-WARNING: More than one compute entropy/atom (../compute_entropy_atom.cpp:138)
+WARNING: More than one compute entropy/atom (../compute_entropy_atom.cpp:139)
+WARNING: More than one compute entropy/atom (../compute_entropy_atom.cpp:139)
+WARNING: More than one compute entropy/atom (../compute_entropy_atom.cpp:139)
+WARNING: More than one compute entropy/atom (../compute_entropy_atom.cpp:139)
Neighbor list info ...
update every 1 steps, delay 10 steps, check yes
max neighbors/atom: 2000, page size: 100000
@@ -56,27 +56,27 @@ Neighbor list info ...
ghost atom cutoff = 13.2
binsize = 6.6, bins = 21 6 6
5 neighbor lists, perpetual/occasional/extra = 5 0 0
- (1) pair eam/fs, perpetual
+ (1) pair eam/fs, perpetual, half/full from (2)
attributes: half, newton on
- pair build: half/bin/newton/tri
- stencil: half/bin/3d/newton/tri
- bin: standard
+ pair build: halffull/newton
+ stencil: none
+ bin: none
(2) compute entropy/atom, perpetual
- attributes: full, newton on, ghost
- pair build: full/bin/ghost
- stencil: full/ghost/bin/3d
+ attributes: full, newton on
+ pair build: full/bin
+ stencil: full/bin/3d
bin: standard
(3) compute entropy/atom, perpetual, copy from (2)
- attributes: full, newton on, ghost
+ attributes: full, newton on
pair build: copy
stencil: none
bin: none
- (4) compute entropy/atom, perpetual, copy from (2)
+ (4) compute entropy/atom, perpetual
attributes: full, newton on, ghost
- pair build: copy
- stencil: none
- bin: none
- (5) compute entropy/atom, perpetual, copy from (2)
+ pair build: full/bin/ghost
+ stencil: full/ghost/bin/3d
+ bin: standard
+ (5) compute entropy/atom, perpetual, copy from (4)
attributes: full, newton on, ghost
pair build: copy
stencil: none
@@ -85,34 +85,34 @@ Setting up Verlet run ...
Unit style : metal
Current step : 0
Time step : 0.002
-Per MPI rank memory allocation (min/avg/max) = 25.68 | 25.69 | 25.69 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 19.6 | 19.6 | 19.6 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
0 346.29871 -4285.222 0 -4101.9191 594.65353 165399.75
- 500 359.33758 -4285.247 0 -4095.0423 471.98587 165847.18
- 1000 348.99659 -4276.2274 0 -4091.4964 149.27188 166966.18
-Loop time of 5.3437 on 4 procs for 1000 steps with 4096 atoms
+ 500 359.33769 -4285.2472 0 -4095.0424 472.02043 165847.09
+ 1000 348.99683 -4276.2282 0 -4091.4971 149.38771 166965.86
+Loop time of 4.4394 on 4 procs for 1000 steps with 4096 atoms
-Performance: 32.337 ns/day, 0.742 hours/ns, 187.136 timesteps/s
-99.8% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 38.924 ns/day, 0.617 hours/ns, 225.256 timesteps/s
+99.5% CPU use with 4 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
-Pair | 4.2832 | 4.3257 | 4.3839 | 1.8 | 80.95
-Bond | 0.00018309 | 0.00019825 | 0.00021418 | 0.0 | 0.00
-Neigh | 0.42195 | 0.42512 | 0.42739 | 0.3 | 7.96
-Comm | 0.051679 | 0.1101 | 0.14916 | 10.8 | 2.06
-Output | 0.40909 | 0.4091 | 0.40911 | 0.0 | 7.66
-Modify | 0.060869 | 0.061921 | 0.06327 | 0.4 | 1.16
-Other | | 0.01161 | | | 0.22
+Pair | 3.5298 | 3.5931 | 3.6669 | 2.6 | 80.94
+Bond | 8.2099e-05 | 0.00011444 | 0.00014673 | 0.0 | 0.00
+Neigh | 0.43384 | 0.4445 | 0.45558 | 1.4 | 10.01
+Comm | 0.048904 | 0.11122 | 0.16728 | 12.7 | 2.51
+Output | 0.22595 | 0.22595 | 0.22596 | 0.0 | 5.09
+Modify | 0.053103 | 0.053795 | 0.054549 | 0.3 | 1.21
+Other | | 0.01068 | | | 0.24
Nlocal: 1024 ave 1040 max 1001 min
Histogram: 1 0 0 0 0 0 2 0 0 1
Nghost: 4614.25 ave 4700 max 4540 min
Histogram: 1 1 0 0 0 0 0 1 0 1
-Neighs: 121747 ave 126398 max 116931 min
+Neighs: 121747 ave 126398 max 116930 min
Histogram: 1 0 0 1 0 0 1 0 0 1
-FullNghs: 243494 ave 252523 max 233842 min
+FullNghs: 243494 ave 252523 max 233841 min
Histogram: 1 0 0 1 0 0 1 0 0 1
Total # of neighbors = 973974
@@ -121,4 +121,4 @@ Ave special neighs/atom = 0
Neighbor list builds = 13
Dangerous builds = 0
-Total wall time: 0:00:05
+Total wall time: 0:00:04
--
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