Diffusion lammps (efficient_neuronet) History

History
efficient_neuronet9fb8cfa0e855cfc0ec8ad27…

Nov 23 2010

add reference runs for NSF machines.
9fb8cfa0e855
·Axel Kohlmeyer on Nov 23 2010, 02:49.
import makefiles for compiling on NCSA lincoln/abe
01e8c6564883
·Axel Kohlmeyer on Nov 23 2010, 02:44.

Nov 21 2010

GPU ECC flag support only available with cuda 3.1+
8b146a9a99c0
·Axel Kohlmeyer on Nov 21 2010, 04:55.
another missed Pair::extract() API change bugfix.
1e288ec61a43
·Axel Kohlmeyer on Nov 21 2010, 00:34.

Nov 20 2010

fix stupid idea to use $SHELL as shell override.
f16b490abedf
·Axel Kohlmeyer on Nov 20 2010, 23:39.
more compile flag tuning for longhorn.
81df7fc57f78
·Axel Kohlmeyer on Nov 20 2010, 23:19.
tune host compiler flags for longhorn
cfea9c6bf355
·Axel Kohlmeyer on Nov 20 2010, 23:16.
default to mixed precision compile
1a5d3322d41d
·Axel Kohlmeyer on Nov 20 2010, 23:13.
integrate vmd wrapper module for pizza.py
cd166c6f2f0a
·Axel Kohlmeyer on Nov 20 2010, 23:00.
restart2data support for gpu accelerated styles
dd247a869aa0
·Axel Kohlmeyer on Nov 20 2010, 21:17.

Nov 19 2010

include string.h for strcmp().
436dfcf7353e
·Axel Kohlmeyer on Nov 19 2010, 19:07.
a few more changes to make the OMP proxies go away.
6f07eac1d674
·Axel Kohlmeyer on Nov 19 2010, 19:03.
add change missed in previous commit.
a077bd358879
·Axel Kohlmeyer on Nov 19 2010, 18:59.
no need to have proxies just add friends.
880464655805
·Axel Kohlmeyer on Nov 19 2010, 18:56.
use per-thread storage for accumulators in OpenMP.
b90adda6fa2e
·Axel Kohlmeyer on Nov 19 2010, 18:56.
two more dihedral coeff() API updates.
6c53f28b94ae
·Axel Kohlmeyer on Nov 19 2010, 17:59.
fix error in conditional file update check.
849a56342ac2
·Axel Kohlmeyer on Nov 19 2010, 17:59.
adjust dihedral classes to match new coeff API.
bb739a67e95f
·Axel Kohlmeyer on Nov 19 2010, 17:51.
Merge branch 'master' into lammps-icms
41c9f10d0746
·Axel Kohlmeyer on Nov 19 2010, 15:47.

Nov 18 2010

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5265 f3b2605a-c512-4ea7…
03dfe53a210f
·sjplimp on Nov 18 2010, 19:30.
Merge branch 'master' into lammps-icms
b6444e36cde5
·Axel Kohlmeyer on Nov 18 2010, 19:29.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5264 f3b2605a-c512-4ea7…
7b842d7f453e
·sjplimp on Nov 18 2010, 19:22.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5263 f3b2605a-c512-4ea7…
1238f8b68c44
·sjplimp on Nov 18 2010, 18:53.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5262 f3b2605a-c512-4ea7…
fed74f2e9826
·sjplimp on Nov 18 2010, 18:52.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5261 f3b2605a-c512-4ea7…
4eb25924b0c2
·sjplimp on Nov 18 2010, 18:49.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5259 f3b2605a-c512-4ea7…
503d2df41d76
·sjplimp on Nov 18 2010, 18:39.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5258 f3b2605a-c512-4ea7…
31e65b4e72e0
·sjplimp on Nov 18 2010, 18:28.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5257 f3b2605a-c512-4ea7…
37b51e682fa0
·sjplimp on Nov 18 2010, 18:28.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5255 f3b2605a-c512-4ea7…
61dcd4156e86
·sjplimp on Nov 18 2010, 16:26.
add "fix gpu" documentation.
db112d8bb739
·Axel Kohlmeyer on Nov 18 2010, 04:57.
aggressive optimization for fermi machine.
3246bc8c924d
·Axel Kohlmeyer on Nov 18 2010, 04:56.
delete references to still unused MSM code.
88b4e8a062b1
·Axel Kohlmeyer on Nov 18 2010, 04:40.
remove references to MSM (for now).
b6a5b9d703d4
·Axel Kohlmeyer on Nov 18 2010, 04:33.
we track gpulammps status in the README file now.
5087fc961783
·Axel Kohlmeyer on Nov 18 2010, 04:28.
updates to the README to match current status.
f324ce503e56
·Axel Kohlmeyer on Nov 18 2010, 04:27.
compile mixed precision and sm_20 now.
2c7c8198fe88
·Axel Kohlmeyer on Nov 18 2010, 04:26.
add note saying this is a modified source.
233de1db5d26
·Axel Kohlmeyer on Nov 18 2010, 03:06.
regenerate files.
4a5457759d36
·Axel Kohlmeyer on Nov 18 2010, 02:32.
import documentation updates for the GPU package.
547b9b612233
·Axel Kohlmeyer on Nov 18 2010, 02:31.
Fix problems with restarts and non-existent types
29006811dcd9
·athomps on Nov 18 2010, 01:02.

Nov 17 2010

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5252 f3b2605a-c512-4ea7…
bea8feec9052
·sjplimp on Nov 17 2010, 19:44.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5251 f3b2605a-c512-4ea7…
c5c8dbbf3fb9
·sjplimp on Nov 17 2010, 19:44.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5250 f3b2605a-c512-4ea7…
460379ce2003
·sjplimp on Nov 17 2010, 19:25.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5249 f3b2605a-c512-4ea7…
63b85bd717a3
·sjplimp on Nov 17 2010, 19:25.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5248 f3b2605a-c512-4ea7…
5c92d3a7ac96
·sjplimp on Nov 17 2010, 19:20.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5247 f3b2605a-c512-4ea7…
7ccbc7e75b37
·sjplimp on Nov 17 2010, 17:26.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5246 f3b2605a-c512-4ea7…
9c67065bb96e
·sjplimp on Nov 17 2010, 17:14.

Nov 15 2010

bugfix for restarting reax/c runs
dcac65bc15ea
·Axel Kohlmeyer on Nov 15 2010, 20:34.
ignore reax/c package files in src
827a336fc633
·Axel Kohlmeyer on Nov 15 2010, 20:34.

Nov 14 2010

add newline at end of file.
580585337890
·Axel Kohlmeyer on Nov 14 2010, 22:45.
remove comment in comment.
29f336e0ddd9
·Axel Kohlmeyer on Nov 14 2010, 00:57.

Nov 13 2010

Document how to set unused parameters to zero
30438cb7b305
·athomps on Nov 13 2010, 00:38.
Set unused parameters to zero
fd6c22a70f02
·athomps on Nov 13 2010, 00:32.

Nov 12 2010

update GPU package support for r561 from svn.
7885412f9ffe
·Axel Kohlmeyer on Nov 12 2010, 23:29.
Merge branch 'master' into lammps-icms
1640f6b098f6
·Axel Kohlmeyer on Nov 12 2010, 16:14.
we need the full path to nvcc on shampoo.
81cd9eb6fa26
·Axel Kohlmeyer on Nov 12 2010, 02:41.
Tweaked TATB output
733eb154db16
·athomps on Nov 12 2010, 00:15.

Nov 11 2010

sync to upstream revision 549.
b4150d11dc26
·Axel Kohlmeyer on Nov 11 2010, 23:59.
update makefile adjustments from upstream.
db9844a8ffbd
·Axel Kohlmeyer on Nov 11 2010, 23:57.
accumulate memory usage in double also for GB.
60377b6a21cb
·Axel Kohlmeyer on Nov 11 2010, 23:27.
import upstream bugfix for pre-3.2 cuda compile
113dffba0ba4
·Axel Kohlmeyer on Nov 11 2010, 23:26.
ensure all files from GPU package are uninstalled
ad38e33fb300
·Axel Kohlmeyer on Nov 11 2010, 19:41.
configuration for shampoo@ICMS
aa083afca130
·Axel Kohlmeyer on Nov 11 2010, 19:39.
remove pointless change
05d2d20429cb
·Axel Kohlmeyer on Nov 11 2010, 18:40.
do GPU device memory accounting with doubles
92cd2a69bf2d
·Axel Kohlmeyer on Nov 11 2010, 18:31.
add missing header dependency.
92444042fcd3
·Axel Kohlmeyer on Nov 11 2010, 18:30.
enable gcc warnings
d27edaf367ec
·Axel Kohlmeyer on Nov 11 2010, 18:28.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5236 f3b2605a-c512-4ea7…
5ad9bfe32c59
·sjplimp on Nov 11 2010, 16:15.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5235 f3b2605a-c512-4ea7…
5f35c38599ed
·sjplimp on Nov 11 2010, 16:09.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5234 f3b2605a-c512-4ea7…
b1918d47632a
·sjplimp on Nov 11 2010, 16:07.

Nov 10 2010

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5233 f3b2605a-c512-4ea7…
71a6b77ea8c4
·sjplimp on Nov 10 2010, 18:29.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5232 f3b2605a-c512-4ea7…
44b5e9b49660
·sjplimp on Nov 10 2010, 18:29.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5231 f3b2605a-c512-4ea7…
f27a73ad68b9
·sjplimp on Nov 10 2010, 15:58.

Nov 9 2010

Merge branch 'master' into lammps-icms
630a307ae761
·Axel Kohlmeyer on Nov 9 2010, 15:31.
update gpu library to r539
ee5f450c127d
·Axel Kohlmeyer on Nov 9 2010, 04:14.

Nov 8 2010

adjust Pair::extract() API to match mainline code.
638e3ca1a771
·Axel Kohlmeyer on Nov 8 2010, 23:40.
update makefile configuration for GPU support
6fd8e9ac9e21
·Axel Kohlmeyer on Nov 8 2010, 23:35.
fix file broken by unresolved merge.
3251f1382c3c
·Axel Kohlmeyer on Nov 8 2010, 23:34.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5230 f3b2605a-c512-4ea7…
86bd2b29f250
·sjplimp on Nov 8 2010, 22:06.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5229 f3b2605a-c512-4ea7…
140780bcd6e4
·sjplimp on Nov 8 2010, 22:04.
Added potential gradient columns
40ea8e4d340f
·athomps on Nov 8 2010, 17:21.
updated GPU package from gpulammps project repo.
423efabf0288
·Axel Kohlmeyer on Nov 8 2010, 00:13.

Nov 7 2010

merge of GPU library from gpulammps project.
ba5fb80d1d4b
·Axel Kohlmeyer on Nov 7 2010, 23:49.
shell portability updates to package management
ef7a99e48720
·Axel Kohlmeyer on Nov 7 2010, 23:30.

Nov 6 2010

Merge branch 'master' into lammps-icms
605509ba56f8
·Axel Kohlmeyer on Nov 6 2010, 22:14.
Added potential gradient columns
f9c3f5b405a5
·athomps on Nov 6 2010, 00:59.
Added potential gradient columns
80468a281f78
·athomps on Nov 6 2010, 00:58.
Added potential gradient columns
6813e71251a2
·athomps on Nov 6 2010, 00:57.
Added potential gradient columns
fb51a67f64a5
·athomps on Nov 6 2010, 00:57.
Added potential gradient columns
0128dca0c5de
·athomps on Nov 6 2010, 00:55.

Nov 5 2010

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5220 f3b2605a-c512-4ea7…
6a22fc774824
·sjplimp on Nov 5 2010, 21:49.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5218 f3b2605a-c512-4ea7…
c42726b8e3dd
·sjplimp on Nov 5 2010, 17:03.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5217 f3b2605a-c512-4ea7…
b511a7557563
·sjplimp on Nov 5 2010, 16:57.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5216 f3b2605a-c512-4ea7…
236cf5832809
·sjplimp on Nov 5 2010, 15:29.
Merge branch 'master' into lammps-icms
5f916ccb7932
·Axel Kohlmeyer on Nov 5 2010, 14:51.

Nov 4 2010

update customized sources to match new extract()
118a6d405c6c
·Axel Kohlmeyer on Nov 4 2010, 23:55.
Merge branch 'master' into lammps-icms
c2ac3c93c316
·Axel Kohlmeyer on Nov 4 2010, 23:29.
remove executable file permissions where useless.
60a5ec92ac11
·Axel Kohlmeyer on Nov 4 2010, 23:17.
add wrapper for MPI_Get_processor_name() to STUBS
29170b0c8fb5
·Axel Kohlmeyer on Nov 4 2010, 19:12.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5215 f3b2605a-c512-4ea7…
850dc7782b72
·sjplimp on Nov 4 2010, 15:11.

Historyefficient_neuronet9fb8cfa0e855cfc0ec8ad27…

Nov 23 2010

Nov 21 2010

Nov 20 2010

Nov 19 2010

Nov 18 2010

Nov 17 2010

Nov 15 2010

Nov 14 2010

Nov 13 2010

Nov 12 2010

Nov 11 2010

Nov 10 2010

Nov 9 2010

Nov 8 2010

Nov 7 2010

Nov 6 2010

Nov 5 2010

Nov 4 2010

History
efficient_neuronet9fb8cfa0e855cfc0ec8ad27…