Diffusion lammps (lammm-master) History

lammps/src
lammm-mastera362ece3e7e195f14535393…

Dec 2 2011

fix timer->init() bug
a362ece3e7e1
·Axel Kohlmeyer on Dec 2 2011, 18:09.
Merge branch 'master' into openmp-master
9d162cd555bd
·Axel Kohlmeyer on Dec 2 2011, 17:52.

Dec 1 2011

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7272 f3b2605a-c512-4ea7…
5a968ac62e01
·sjplimp on Dec 1 2011, 22:19.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7270 f3b2605a-c512-4ea7…
a6d0ca14cf51
·sjplimp on Dec 1 2011, 18:59.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7267 f3b2605a-c512-4ea7…
4643566b2519
·sjplimp on Dec 1 2011, 18:37.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7266 f3b2605a-c512-4ea7…
8c372f6c410d
·sjplimp on Dec 1 2011, 18:21.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7265 f3b2605a-c512-4ea7…
57a20c2706ce
·sjplimp on Dec 1 2011, 18:05.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7264 f3b2605a-c512-4ea7…
389584998643
·sjplimp on Dec 1 2011, 18:05.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7263 f3b2605a-c512-4ea7…
b3cd459ea9fb
·sjplimp on Dec 1 2011, 17:05.
Merge branch 'master' into openmp-master
21e591dba113
·Axel Kohlmeyer on Dec 1 2011, 16:48.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7262 f3b2605a-c512-4ea7…
ba728e5e07e1
·sjplimp on Dec 1 2011, 16:47.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7255 f3b2605a-c512-4ea7…
d96b0ab866ae
·sjplimp on Dec 1 2011, 15:53.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7254 f3b2605a-c512-4ea7…
0dacc993ae27
·sjplimp on Dec 1 2011, 15:50.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7253 f3b2605a-c512-4ea7…
e2d5ab683f49
·sjplimp on Dec 1 2011, 15:50.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7252 f3b2605a-c512-4ea7…
badb8c439d8d
·sjplimp on Dec 1 2011, 15:45.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7251 f3b2605a-c512-4ea7…
b7f57f079dfd
·sjplimp on Dec 1 2011, 15:45.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7249 f3b2605a-c512-4ea7…
263875b6fd01
·sjplimp on Dec 1 2011, 01:20.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7247 f3b2605a-c512-4ea7…
f823c6e4fc2d
·sjplimp on Dec 1 2011, 01:19.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7245 f3b2605a-c512-4ea7…
68ddd409e158
·sjplimp on Dec 1 2011, 01:08.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7244 f3b2605a-c512-4ea7…
21c24459c92c
·sjplimp on Dec 1 2011, 01:08.

Nov 30 2011

add missing line
31cdb2937798
·Axel Kohlmeyer on Nov 30 2011, 01:55.
port implicit package omp to clear command.
04a52667efad
·Axel Kohlmeyer on Nov 30 2011, 01:55.
Merge branch 'master' into openmp-master
f397ec383298
·Axel Kohlmeyer on Nov 30 2011, 00:49.
move lj/sdk potentials into USER-CG-CMM package
61622c72b37b
·Axel Kohlmeyer on Nov 30 2011, 00:17.

Nov 28 2011

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7241 f3b2605a-c512-4ea7…
84bc16311e07
·sjplimp on Nov 28 2011, 23:55.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7238 f3b2605a-c512-4ea7…
afb76218387c
·sjplimp on Nov 28 2011, 23:46.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7236 f3b2605a-c512-4ea7…
c032f772ac67
·sjplimp on Nov 28 2011, 23:41.

Nov 20 2011

Merge branch 'openmp-master' of github.com:akohlmey/lammps-omp into openmp…
f358b95cdf92
·Axel Kohlmeyer on Nov 20 2011, 21:24.

Nov 17 2011

Merge branch 'master' into openmp-master
0d5f2283b1c8
·Axel Kohlmeyer on Nov 17 2011, 18:37.

Nov 16 2011

Modified error messages
8fb28ae020ea
·athomps on Nov 16 2011, 19:33.

Nov 15 2011

Merge branch 'openmp-master' of github.com:akohlmey/lammps-omp into openmp…
a925d868fa91
·Axel Kohlmeyer on Nov 15 2011, 01:59.

Nov 14 2011

revert to using preprocessor macros for MIN/MAX, since the templated inline…
ccd5c7b9a1c4
·Axel Kohlmeyer on Nov 14 2011, 23:55.
Merge branch 'master' into openmp-master
ad5e85a4bf32
·Axel Kohlmeyer on Nov 14 2011, 23:20.

Nov 12 2011

add test prohibiting use of USER-OMP styles with r-RESPA
b20b4a356cdc
·Axel Kohlmeyer on Nov 12 2011, 04:57.
prep for threaded fixes that may need to reduce forces
b0445c93b111
·Axel Kohlmeyer on Nov 12 2011, 02:58.
fix bug causing memory corruption with compute_rho1d_thr()
0dd5d15abab3
·Axel Kohlmeyer on Nov 12 2011, 02:57.

Nov 11 2011

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7228 f3b2605a-c512-4ea7…
69b7787ff259
·sjplimp on Nov 11 2011, 17:52.

Nov 10 2011

Merge branch 'openmp-master' of github.com:akohlmey/lammps-omp into openmp…
0723de1e2f42
·Axel Kohlmeyer on Nov 10 2011, 19:53.
Merge branch 'master' into openmp-master
756940313d81
·Axel Kohlmeyer on Nov 10 2011, 16:30.
remove traces of GPU+thread support from GPU package
682d51a6d9e5
·Axel Kohlmeyer on Nov 10 2011, 16:29.

Nov 9 2011

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7226 f3b2605a-c512-4ea7…
189e650c6702
·sjplimp on Nov 9 2011, 16:09.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7225 f3b2605a-c512-4ea7…
0be567a00a70
·sjplimp on Nov 9 2011, 16:04.
remove redundant bugfix
9e9e85d103d3
·Axel Kohlmeyer on Nov 9 2011, 13:31.
Merge branch 'master' into openmp-master
0745f717d8db
·Axel Kohlmeyer on Nov 9 2011, 13:30.
add threaded versions of coul/diel and gauss/cut
45040c4fdd0a
·Axel Kohlmeyer on Nov 9 2011, 07:13.
bugfixes
fa66e183e360
·Axel Kohlmeyer on Nov 9 2011, 07:13.
make the processor grid info less confusing
feca20292aee
·Axel Kohlmeyer on Nov 9 2011, 06:06.
add gauss/cut and coul/diel for arben's implicit solvent
dc263fb4d988
·Axel Kohlmeyer on Nov 9 2011, 04:58.
use single precision FFT-2 for now
f9807b3ebf0c
·Axel Kohlmeyer on Nov 9 2011, 04:30.
remove threaded gpu style and update install script for cg/cmm lj/sdk rename
63dd17808d24
·Axel Kohlmeyer on Nov 9 2011, 04:30.
add backward compatibility with cg/cmm style
07e32b3836c9
·Axel Kohlmeyer on Nov 9 2011, 00:05.
fix bug that killed coulomb contributions
45f492e42b15
·Axel Kohlmeyer on Nov 9 2011, 00:04.
fix typo
fae31df039dc
·Axel Kohlmeyer on Nov 9 2011, 00:03.

Nov 8 2011

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7223 f3b2605a-c512-4ea7…
1963ce87832a
·sjplimp on Nov 8 2011, 15:53.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7222 f3b2605a-c512-4ea7…
181c77d346ac
·sjplimp on Nov 8 2011, 15:51.
more files to ignore
0ce50309a42b
·Axel Kohlmeyer on Nov 8 2011, 02:55.
convert lj/sdk GPU styles to use the new CPU version
fb788f6a05f9
·Axel Kohlmeyer on Nov 8 2011, 02:54.
fix bug with coefficient parsing for sdk angles
ef385531fefa
·Axel Kohlmeyer on Nov 8 2011, 02:53.
rename cg/cmm styles to the new lj/sdk names
3fb3dfa5478d
·Axel Kohlmeyer on Nov 8 2011, 01:32.
more files to ignore
023128d64ac7
·Axel Kohlmeyer on Nov 8 2011, 01:12.
complete implementation of angle/sdk and add multi-threaded version
45479a785a15
·Axel Kohlmeyer on Nov 8 2011, 01:12.
Merge branch 'libgpu-update' into openmp-step10
1c5de20564d6
·Axel Kohlmeyer on Nov 8 2011, 00:10.
add threaded version of lj/sdk/coul/long
1c5c03243501
·Axel Kohlmeyer on Nov 8 2011, 00:02.
bugfixes in lj/sdk potentials
8a0947a71879
·Axel Kohlmeyer on Nov 8 2011, 00:02.
fix bug in timer initialization
1109a4ec5eda
·Axel Kohlmeyer on Nov 8 2011, 00:01.

Nov 6 2011

update list of files/dirs to ignore
463d13d99b4a
·Axel Kohlmeyer on Nov 6 2011, 22:00.
files to ignore
255f2588089e
·Axel Kohlmeyer on Nov 6 2011, 21:59.
eliminate msm styles for now
c5ac2333f742
·Axel Kohlmeyer on Nov 6 2011, 21:57.

Nov 5 2011

second part of the GPU update merge
f982ae2c2c68
·Axel Kohlmeyer on Nov 5 2011, 00:34.

Nov 4 2011

more files to ignore
5f33185f5696
·Axel Kohlmeyer on Nov 4 2011, 03:30.
reinstate the ns/day summary for "real" and "metal" units
24bedd7ac5e8
·Axel Kohlmeyer on Nov 4 2011, 03:26.
follow steve's changes to upstream
cc0696a22558
·Axel Kohlmeyer on Nov 4 2011, 03:26.
make code compile with recent changes to pppm.h
869c57851100
·Axel Kohlmeyer on Nov 4 2011, 03:25.

Nov 2 2011

Merge branch 'master' into openmp-master
75b1670c51a0
·Axel Kohlmeyer on Nov 2 2011, 00:33.
work around pathscale issue and improve parallelism
22e01fab5ffa
·Axel Kohlmeyer on Nov 2 2011, 00:31.

Nov 1 2011

use default(none) for all OpenMP pragmas now
6f52b5eeae0a
·Axel Kohlmeyer on Nov 1 2011, 23:44.
correct thinko in repscale default for sdk angle
77c1869eb161
·Axel Kohlmeyer on Nov 1 2011, 22:57.
new implementation of coarse grain potentials almost complete
a8c7a085c4e9
·Axel Kohlmeyer on Nov 1 2011, 22:57.
add /old suffix to original cg/cmm implementations
638a31ae78d3
·Axel Kohlmeyer on Nov 1 2011, 22:57.
support init_style() API similar to bond/dihedral
ae065f8d39e1
·Axel Kohlmeyer on Nov 1 2011, 22:57.
use only one consistent definitions of qqrd2e (from Force)
95306f83b4f8
·Axel Kohlmeyer on Nov 1 2011, 21:58.

Oct 31 2011

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7221 f3b2605a-c512-4ea7…
618f3ab3ffdf
·sjplimp on Oct 31 2011, 15:22.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7220 f3b2605a-c512-4ea7…
f0e2a07be31f
·sjplimp on Oct 31 2011, 15:22.

Oct 30 2011

one more file to ignore
3ec69f914a0e
·Axel Kohlmeyer on Oct 30 2011, 22:48.
more makefile variants
57539d9c61dc
·Axel Kohlmeyer on Oct 30 2011, 22:48.
updated tersoff/table code with simpler memory managment
40e93ac55b2c
·Axel Kohlmeyer on Oct 30 2011, 22:47.

Oct 29 2011

add openmp version of tersoff/table fix memory leak in tersoff/table
c1e70a1edb0c
·Axel Kohlmeyer on Oct 29 2011, 06:05.
more files to ignore when installed
8475162efaca
·Axel Kohlmeyer on Oct 29 2011, 02:17.
include tersoff/table potential
ce2af6e13314
·Axel Kohlmeyer on Oct 29 2011, 02:16.
add prototype implementation for sdk version of angle potential
da93139e7b1a
·Axel Kohlmeyer on Oct 29 2011, 01:40.
add long-range coulomb version of lj/sdk for coarse grain
f5d47803b6b0
·Axel Kohlmeyer on Oct 29 2011, 01:31.
some cleanups, prepare for used with sdk angle style
b6d7a90ca725
·Axel Kohlmeyer on Oct 29 2011, 01:30.

Oct 28 2011

cleaner output formatting for OpenMP case.
74fdaea4b5a4
·Axel Kohlmeyer on Oct 28 2011, 18:29.
multi-threaded version of lj/sdk
d27ca0d1bd1a
·Axel Kohlmeyer on Oct 28 2011, 05:24.
remove unused variables
af6796a74a41
·Axel Kohlmeyer on Oct 28 2011, 05:04.
remove useless define
0114dee5a91b
·Axel Kohlmeyer on Oct 28 2011, 05:04.
complete rewrite of lj/sdk. compiles, runs, test ok.
b9bcc2514097
·Axel Kohlmeyer on Oct 28 2011, 00:13.

Oct 27 2011

Merge branch 'master' into openmp-master
d4e11b033adb
·Axel Kohlmeyer on Oct 27 2011, 12:34.
more files to ignore
48ebc33f7139
·Axel Kohlmeyer on Oct 27 2011, 03:02.
more detailed and readable timing output with min/max added for use with load…
c8aad060bea5
·Axel Kohlmeyer on Oct 27 2011, 02:59.

lammps/srclammm-mastera362ece3e7e195f14535393…

Dec 2 2011

Dec 1 2011

Nov 30 2011

Nov 28 2011

Nov 20 2011

Nov 17 2011

Nov 16 2011

Nov 15 2011

Nov 14 2011

Nov 12 2011

Nov 11 2011

Nov 10 2011

Nov 9 2011

Nov 8 2011

Nov 6 2011

Nov 5 2011

Nov 4 2011

Nov 2 2011

Nov 1 2011

Oct 31 2011

Oct 30 2011

Oct 29 2011

Oct 28 2011

Oct 27 2011

lammps/src
lammm-mastera362ece3e7e195f14535393…