Diffusion lammps (lammm-master-deprecated) History

gpu
lammm-master-deprecateda2b4a794d9a2870b135ad59…

Apr 7 2011

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5906 f3b2605a-c512-4ea7…
3480e40e5f59
·sjplimp on Apr 7 2011, 18:07.

Apr 6 2011

Adding testing code (charmm 2).
faf70592aef3
·W. Michael Brown on Apr 6 2011, 23:57.
Updating library to use new special bond indexing.
2bb3c7d1a158
·W. Michael Brown on Apr 6 2011, 20:41.
Merge branch 'master' of http://git.icms.temple.edu/lammps-ro
38faad75d478
·Mike Brown on Apr 6 2011, 16:25.

Apr 4 2011

Removing some extraneous output from last commit.
39aadadf7583
·W. Michael Brown on Apr 4 2011, 20:33.
Adding fixes for OpenCL support and correct constant casting to pppm kernels.
2759b11312b4
·W. Michael Brown on Apr 4 2011, 20:27.
Consolidated block size defines into device header.
a955c52830f3
·W. Michael Brown on Apr 4 2011, 19:41.
Switch pencil size in PPPM to arch dependent. Commiting for testing on yona.
f08932d407e2
·W. Michael Brown on Apr 4 2011, 18:22.

Apr 3 2011

Adding better error output to LAMMPS routines.
86f7f6cd42a8
·W. Michael Brown on Apr 3 2011, 17:51.

Mar 31 2011

Switching pppm to async zero.
b79869df3db9
·W. Michael Brown on Mar 31 2011, 02:07.
Fixing bug in pppm gpu kernel from last commit.
3c92f73e26f0
·W. Michael Brown on Mar 31 2011, 01:43.

Mar 30 2011

Updating to current version of LAMMPS.
7b2b11d84a3e
·W. Michael Brown on Mar 30 2011, 20:14.
Finishing up asynchronous PPPM.
ab2a2934a9dd
·W. Michael Brown on Mar 30 2011, 04:09.

Mar 29 2011

Adding stuff to support async charge spread for PPPM.
a3eca0b125a9
·W. Michael Brown on Mar 29 2011, 19:23.
Finishing up single/double precision PPPM.
2c62f0c4c096
·W. Michael Brown on Mar 29 2011, 16:38.
Started changes to support multiple precision modes for pppm.
abb127e163e5
·W. Michael Brown on Mar 29 2011, 03:10.

Mar 28 2011

Fixing bug in gb_gpu final output.
15993c6cb35e
·W. Michael Brown on Mar 28 2011, 21:35.
Fixing bug in gpu balance where split could be greater than 1 Fixing bug in…
3e7548cd275e
·W. Michael Brown on Mar 28 2011, 20:32.
Updating all code to use full neighbor lists for all host forces computations.
71ff7b809683
·W. Michael Brown on Mar 28 2011, 19:18.
Another update for yona testing.
8f218cc11ddf
·W. Michael Brown on Mar 28 2011, 01:50.

Mar 27 2011

temporary commit for yona testing.
b42cfbfb363b
·W. Michael Brown on Mar 27 2011, 18:32.
Temporary commit for testing on yona.
092ee2eea8a1
·W. Michael Brown on Mar 27 2011, 18:31.

Mar 26 2011

Changing host neighbor list from gpu build to be full. Changing ordering of…
04f1dc492eec
·W. Michael Brown on Mar 26 2011, 17:58.

Mar 25 2011

Fixing bug in hd_balancer introduced in recent commit.
56fa3f5372f6
·W. Michael Brown on Mar 25 2011, 20:31.
pppm/gpu now using all gpu kernels.
f0263bf14ccb
·W. Michael Brown on Mar 25 2011, 16:49.
GPU selection bugfix from mike brown.
e03cd3d8854a
·Axel Kohlmeyer on Mar 25 2011, 00:46.
Fixing pppm/gpu to work with gpu pair styles.
e32f0861dafa
·W. Michael Brown on Mar 25 2011, 00:10.

Mar 15 2011

Fixing bug in GPU selection.
a56bc868aa40
·W. Michael Brown on Mar 15 2011, 21:00.
WORKING Force INTERP kernel. Commenting out debug checks.
58f0eaa6b6bd
·W. Michael Brown on Mar 15 2011, 18:51.
Some small optimizations to PPPM spread kernel.
2103c06aec1e
·W. Michael Brown on Mar 15 2011, 16:51.
Testing an optimization for PPPM interp.
f20bf5682178
·W. Michael Brown on Mar 15 2011, 03:52.
Adding PPPM interp kernel calls and tests.
1fb641092173
·W. Michael Brown on Mar 15 2011, 02:39.

Mar 14 2011

Undoing last commit.
fe8082d88afe
·W. Michael Brown on Mar 14 2011, 17:40.
Pencil decomposition defines now set according to architecture.
2662c9ace653
·W. Michael Brown on Mar 14 2011, 17:25.
Changing pencil decomposition constants for test.
e2b96b6f4dd2
·W. Michael Brown on Mar 14 2011, 02:47.
Adding stuff for PPPM interpolation.
f9685d323170
·W. Michael Brown on Mar 14 2011, 01:37.

Mar 9 2011

More bug fixes to modified PPPM charge spread kernel.
111de617166c
·W. Michael Brown on Mar 9 2011, 14:58.

Mar 8 2011

Fixing bug in PPPM GPU kernel from last commit.
8e03c5891712
·W. Michael Brown on Mar 8 2011, 21:10.
Modifying PPPM charge spread kernel to use multiple pencils per block.
7947dd346540
·W. Michael Brown on Mar 8 2011, 20:42.

Mar 7 2011

Small improvement to morse kernel.
0ff556412d03
·W. Michael Brown on Mar 7 2011, 22:01.
Adding Morse potential (untested)
13d47d2874bf
·W. Michael Brown on Mar 7 2011, 19:42.

Mar 2 2011

Fixing bug with texture binding when hybrid pair styles reallocs and 0 atoms on…
34ab4d831ef8
·W. Michael Brown on Mar 2 2011, 01:17.

Mar 1 2011

Fixing some bugs when using multiple GPU styles hybrid.
fe88e353d573
·W. Michael Brown on Mar 1 2011, 23:45.

Feb 28 2011

Bug fixes for charge spread kernel.
3e6ab71fa708
·W. Michael Brown on Feb 28 2011, 19:53.
Fix to new PPPM gpu kernel.
2f150052a0e3
·W. Michael Brown on Feb 28 2011, 02:49.

Feb 26 2011

Switching PPPM kernel to use coalesced access.
29bbace06a04
·W. Michael Brown on Feb 26 2011, 02:21.
Testing alternative delta storage instead of atom index in PPPM kernel.
242378a69ec5
·W. Michael Brown on Feb 26 2011, 00:36.

Feb 25 2011

DROPPING TO 1 PPPM charge spread kernel.
f718bcfbaa9d
·W. Michael Brown on Feb 25 2011, 23:11.
Adding lj/expand/gpu.
73a8f5842ddc
·W. Michael Brown on Feb 25 2011, 21:48.

Feb 23 2011

Fixing bug in virial calculation for hybrid styles.
a2671c967015
·W. Michael Brown on Feb 23 2011, 22:53.
NEW CODE FOR PAPER.
fb2aab254282
·W. Michael Brown on Feb 23 2011, 19:32.

Feb 22 2011

Adding untested force interpolation kernel.
fd4fb582ca6f
·W. Michael Brown on Feb 22 2011, 23:21.
added makefile for serial version /w MPI stubs.
e96ab4ea59d5
·Axel Kohlmeyer on Feb 22 2011, 05:10.

Feb 21 2011

CODE USED TO BENCHMARK CHARGE SPREADING FOR PAPER.
a3d6cff83633
·W. Michael Brown on Feb 21 2011, 17:35.

Feb 17 2011

Changing resequence skip to use the block size.
fc6934dc4581
·W. Michael Brown on Feb 17 2011, 23:25.
Adding optimizations for Fermi.
a5fa012ed304
·W. Michael Brown on Feb 17 2011, 20:36.
Finishing laptop optimization of PPPM charge spread kernels.
e8da16ff23ac
·W. Michael Brown on Feb 17 2011, 19:37.
Working on PPPM kernels.
a5163fabd2a6
·W. Michael Brown on Feb 17 2011, 16:16.

Feb 16 2011

Working on charge spreading.
603dfac3f107
·W. Michael Brown on Feb 16 2011, 23:50.

Feb 14 2011

Fixed incorrect starting index for PPPM regression check. Removed unnecessary…
22b299f94c21
·W. Michael Brown on Feb 14 2011, 21:07.
Optimizing PPPM kernel.
8364b1214eba
·W. Michael Brown on Feb 14 2011, 20:23.
3 Working charge spreading kernels for PPPM.
c4e10709d3dc
·W. Michael Brown on Feb 14 2011, 00:46.

Feb 11 2011

Playing with pppm.
958894570520
·W. Michael Brown on Feb 11 2011, 23:30.

Feb 10 2011

Adding additional charge spreading kernels
d7fdcef6ffa0
·W. Michael Brown on Feb 10 2011, 23:10.

Feb 9 2011

Adding working charge spreading code.
6c28a2c11797
·W. Michael Brown on Feb 9 2011, 23:17.
Fixing bugs in charge spreading.
074b76f73cbb
·W. Michael Brown on Feb 9 2011, 21:41.

Feb 8 2011

Adding kernel for rho map; not currently working.
3e25ee5338b9
·W. Michael Brown on Feb 8 2011, 02:15.

Feb 2 2011

Working on PPPM charge spread kernel.
83be27433ca1
·W. Michael Brown on Feb 2 2011, 23:47.
Adding working atom index storage to particle map.
4c7f84fda0b6
·W. Michael Brown on Feb 2 2011, 20:59.
Adding working GPU particle map for PPPM. Reverting changes to force.h/cpp.
3e4a467b20eb
·W. Michael Brown on Feb 2 2011, 20:12.
Updating PPPM particle_map kernel.
27c6fd9dd066
·W. Michael Brown on Feb 2 2011, 02:04.

Feb 1 2011

Adding PPPM particle_map stuff.
5d6435f4f3a9
·W. Michael Brown on Feb 1 2011, 23:27.
Adding data transfer for charge spreading.
b9305d30cf11
·W. Michael Brown on Feb 1 2011, 18:34.

Jan 31 2011

Adding pppm stuff and incorporating data transfer.
343485d59237
·W. Michael Brown on Jan 31 2011, 21:06.

Jan 28 2011

with cuda-3.2 use mixed precision on lincoln
74ca3e124462
·Axel Kohlmeyer on Jan 28 2011, 18:56.
update to cuda-3.2 on NCSA lincoln.
302e983393e3
·Axel Kohlmeyer on Jan 28 2011, 18:53.

Jan 27 2011

Hybrid working, but not fully tested.
c1c9fd47dee5
·W. Michael Brown on Jan 27 2011, 23:52.

Jan 25 2011

Trying to get hybrid gpu styles to work...
b9c7e2bb9612
·W. Michael Brown on Jan 25 2011, 23:46.

Jan 24 2011

Atom data will not be copied multiple times if multiple styles need it. Adding…
45971bf7329d
·W. Michael Brown on Jan 24 2011, 23:33.
Untested changes to support hybrid styles.
6018dd02b156
·W. Michael Brown on Jan 24 2011, 21:58.
Started updating to support multiple GPU styles. Incomplete - non-compilable.
332443786681
·W. Michael Brown on Jan 24 2011, 02:03.

Jan 21 2011

Removed use of LAMMPS timestep in gpu library.
0e41c61584e1
·W. Michael Brown on Jan 21 2011, 19:27.
Revert "Removing msm, openmp, and k-space stuff for LAMMPS patch."
0232e672eb20
·W. Michael Brown on Jan 21 2011, 17:13.
Merge ssh://yona.ccs.ornl.gov/~/git/lammps
20d10c6590b8
·W. Michael Brown on Jan 21 2011, 17:04.
Merge branch 'master' of http://git.icms.temple.edu/lammps-ro
15742bec1e97
·Mike Brown on Jan 21 2011, 16:48.

Jan 14 2011

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5546 f3b2605a-c512-4ea7…
353439c4148f
·sjplimp on Jan 14 2011, 16:14.

Jan 13 2011

recover option to write object files to ./obj
c00c13352937
·Axel Kohlmeyer on Jan 13 2011, 20:28.
Merge branch 'master' into lammps-icms
fa493de199e2
·Axel Kohlmeyer on Jan 13 2011, 19:14.
Fixed makefile to correctly remove files.
64f71106f70a
·W. Michael Brown on Jan 13 2011, 03:17.

Jan 12 2011

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5545 f3b2605a-c512-4ea7…
a499b28469f3
·sjplimp on Jan 12 2011, 22:41.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5538 f3b2605a-c512-4ea7…
2228473d0321
·sjplimp on Jan 12 2011, 16:25.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5537 f3b2605a-c512-4ea7…
8f2257ecbf12
·sjplimp on Jan 12 2011, 16:24.

Jan 11 2011

Removing msm, openmp, and k-space stuff for LAMMPS patch.
fd33d2944213
·W. Michael Brown on Jan 11 2011, 18:56.

Jan 7 2011

Adding support for non-arithmetic mixing to charmm and updating docs and…
9d654ca91cb2
·W. Michael Brown on Jan 7 2011, 00:02.

Jan 6 2011

Updating host-write buffer in CHARMM to zero all memory to avoid valgrind…
7c5cef048f57
·W. Michael Brown on Jan 6 2011, 01:02.

Jan 5 2011

Switching back to old nbor list calculation 2 of 2
f85acfb1c26a
·W. Michael Brown on Jan 5 2011, 20:44.
Switching back to old nbor list calculation 1 of 2...
b5a8ac685833
·W. Michael Brown on Jan 5 2011, 20:43.
Switching to O2 neighbor list calculation for tests...
3acbf3b41d13
·W. Michael Brown on Jan 5 2011, 19:07.
Added O^2 neighbor list build kernel.
e90814093ff1
·W. Michael Brown on Jan 5 2011, 00:03.

Jan 4 2011

Updating geryon; changing (numtyp)0 to (acctyp)0 for acctyp variables.
b9a2679c1c42
·W. Michael Brown on Jan 4 2011, 18:09.

lammps/lib/gpulammm-master-deprecateda2b4a794d9a2870b135ad59…

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lammps/lib/gpu
lammm-master-deprecateda2b4a794d9a2870b135ad59…