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e8da16ff23
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Finishing laptop optimization of PPPM charge spread kernels.
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2011-02-17 13:37:02 -05:00 |
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a5163fabd2
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Working on PPPM kernels.
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2011-02-17 10:16:49 -05:00 |
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603dfac3f1
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Working on charge spreading.
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2011-02-16 17:50:48 -05:00 |
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22b299f94c
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Fixed incorrect starting index for PPPM regression check. Removed
unnecessary code from kernel.
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2011-02-14 15:07:01 -05:00 |
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8364b1214e
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Optimizing PPPM kernel.
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2011-02-14 14:23:17 -05:00 |
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c4e10709d3
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3 Working charge spreading kernels for PPPM.
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2011-02-13 18:46:28 -05:00 |
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9588945705
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Playing with pppm.
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2011-02-11 17:30:19 -05:00 |
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d7fdcef6ff
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Adding additional charge spreading kernels
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2011-02-10 17:10:20 -05:00 |
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6c28a2c117
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Adding working charge spreading code.
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2011-02-09 17:17:22 -05:00 |
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074b76f73c
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Fixing bugs in charge spreading.
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2011-02-09 15:41:47 -05:00 |
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3e25ee5338
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Adding kernel for rho map; not currently working.
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2011-02-07 20:15:06 -05:00 |
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83be27433c
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Working on PPPM charge spread kernel.
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2011-02-02 17:47:22 -05:00 |
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4c7f84fda0
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Adding working atom index storage to particle map.
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2011-02-02 14:59:00 -05:00 |
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3e4a467b20
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Adding working GPU particle map for PPPM. Reverting changes to
force.h/cpp.
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2011-02-02 14:12:22 -05:00 |
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27c6fd9dd0
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Updating PPPM particle_map kernel.
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2011-02-01 20:04:18 -05:00 |
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5d6435f4f3
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Adding PPPM particle_map stuff.
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2011-02-01 17:27:25 -05:00 |
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b9305d30cf
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Adding data transfer for charge spreading.
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2011-02-01 12:34:13 -05:00 |
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343485d592
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Adding pppm stuff and incorporating data transfer.
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2011-01-31 15:06:22 -05:00 |
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c1c9fd47de
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Hybrid working, but not fully tested.
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2011-01-27 17:52:08 -05:00 |
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b9c7e2bb96
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Trying to get hybrid gpu styles to work...
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2011-01-25 17:46:00 -05:00 |
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45971bf732
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Atom data will not be copied multiple times if multiple styles need it.
Adding back missing extern from nbor.
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2011-01-24 17:33:38 -05:00 |
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6018dd02b1
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Untested changes to support hybrid styles.
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2011-01-24 15:58:04 -05:00 |
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3324437866
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Started updating to support multiple GPU styles. Incomplete - non-compilable.
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2011-01-23 20:03:42 -05:00 |
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0e41c61584
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Removed use of LAMMPS timestep in gpu library.
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2011-01-21 13:27:00 -05:00 |
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0232e672eb
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Revert "Removing msm, openmp, and k-space stuff for LAMMPS patch."
This reverts commit fd33d29442.
Conflicts:
src/GPU/Install.sh
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2011-01-21 11:13:30 -05:00 |
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20d10c6590
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Merge ssh://yona.ccs.ornl.gov/~/git/lammps
Conflicts:
src/GPU/Install.sh
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2011-01-21 11:04:15 -05:00 |
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15742bec1e
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Merge branch 'master' of http://git.icms.temple.edu/lammps-ro
Conflicts:
src/GPU/pair_lj_charmm_coul_long_gpu.cpp
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2011-01-21 10:48:05 -05:00 |
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353439c414
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5546 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-01-14 15:14:19 +00:00 |
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64f71106f7
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Fixed makefile to correctly remove files.
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2011-01-12 21:17:18 -05:00 |
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a499b28469
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5545 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-01-12 21:41:35 +00:00 |
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2228473d03
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5538 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-01-12 15:25:39 +00:00 |
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8f2257ecbf
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5537 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-01-12 15:24:04 +00:00 |
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fd33d29442
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Removing msm, openmp, and k-space stuff for LAMMPS patch.
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2011-01-11 12:56:45 -05:00 |
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9d654ca91c
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Adding support for non-arithmetic mixing to charmm and updating docs and
restart2data
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2011-01-06 18:02:09 -05:00 |
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7c5cef048f
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Updating host-write buffer in CHARMM to zero all memory to avoid valgrind errors.
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2011-01-05 19:02:39 -05:00 |
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f85acfb1c2
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Switching back to old nbor list calculation 2 of 2
Revert "Added O^2 neighbor list build kernel."
This reverts commit e90814093f.
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2011-01-05 14:44:22 -05:00 |
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b5a8ac6858
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Switching back to old nbor list calculation 1 of 2...
Revert "Switching to O2 neighbor list calculation for tests..."
This reverts commit 3acbf3b41d.
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2011-01-05 14:43:49 -05:00 |
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3acbf3b41d
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Switching to O2 neighbor list calculation for tests...
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2011-01-05 13:07:15 -05:00 |
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e90814093f
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Added O^2 neighbor list build kernel.
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2011-01-04 18:03:31 -05:00 |
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b9a2679c1c
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Updating geryon; changing (numtyp)0 to (acctyp)0 for acctyp variables.
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2011-01-04 12:09:24 -05:00 |
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c1e53cf140
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Final working charmm commit.
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2010-12-30 19:52:32 -05:00 |
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e1260023f7
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Optimized kernel from last commit.
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2010-12-30 16:35:48 -05:00 |
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56b96c1722
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Replacing with another test for faster type data in charmm.
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2010-12-30 16:01:05 -05:00 |
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b85a2a1cf7
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Adding a test kernel for faster shared types in charmm.
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2010-12-30 14:00:35 -05:00 |
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bc5876cf5a
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Bug fixes to generate first working charmm/long/gpu
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2010-12-29 17:36:03 -05:00 |
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6f4d1de96c
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Initial commit of charmm/long/gpu style w/out testing.
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2010-12-29 15:18:53 -05:00 |
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de14d7c0aa
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Eliminating compiler warnings.
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2010-12-16 13:45:09 -05:00 |
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b58bd96444
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Now using LAMMPS communicators.
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2010-12-15 18:42:49 -05:00 |
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aca0eefff1
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More efficient memory usage when particle split>0 and < 1.
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2010-12-15 16:49:37 -05:00 |
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85bd78dacd
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Made pair_gpu_atom memory usage more efficient.
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2010-12-15 16:37:18 -05:00 |
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