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61622c72b3
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move lj/sdk potentials into USER-CG-CMM package
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2011-11-29 18:17:37 -05:00 |
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f358b95cdf
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Merge branch 'openmp-master' of github.com:akohlmey/lammps-omp into openmp-master
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2011-11-20 15:24:54 -05:00 |
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0d5f2283b1
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Merge branch 'master' into openmp-master
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2011-11-17 12:37:00 -05:00 |
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8fb28ae020
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Modified error messages
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7230 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-11-16 18:33:03 +00:00 |
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a925d868fa
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Merge branch 'openmp-master' of github.com:akohlmey/lammps-omp into openmp-master
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2011-11-14 19:59:58 -05:00 |
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ccd5c7b9a1
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revert to using preprocessor macros for MIN/MAX,
since the templated inline functions create problems
with intel compilers
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2011-11-14 17:55:02 -05:00 |
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ad5e85a4bf
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Merge branch 'master' into openmp-master
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2011-11-14 17:20:44 -05:00 |
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b20b4a356c
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add test prohibiting use of USER-OMP styles with r-RESPA
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2011-11-11 22:57:47 -05:00 |
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b0445c93b1
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prep for threaded fixes that may need to reduce forces
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2011-11-11 20:58:07 -05:00 |
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0dd5d15aba
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fix bug causing memory corruption with compute_rho1d_thr()
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2011-11-11 20:57:04 -05:00 |
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69b7787ff2
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7228 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-11-11 16:52:58 +00:00 |
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0723de1e2f
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Merge branch 'openmp-master' of github.com:akohlmey/lammps-omp into openmp-master
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2011-11-10 13:53:09 -05:00 |
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756940313d
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Merge branch 'master' into openmp-master
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2011-11-10 10:30:31 -05:00 |
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682d51a6d9
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remove traces of GPU+thread support from GPU package
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2011-11-10 10:29:53 -05:00 |
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189e650c67
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7226 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-11-09 15:09:04 +00:00 |
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0be567a00a
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7225 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-11-09 15:04:01 +00:00 |
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9e9e85d103
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remove redundant bugfix
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2011-11-09 07:31:04 -05:00 |
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0745f717d8
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Merge branch 'master' into openmp-master
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2011-11-09 07:30:32 -05:00 |
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45040c4fdd
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add threaded versions of coul/diel and gauss/cut
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2011-11-09 01:13:59 -05:00 |
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fa66e183e3
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bugfixes
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2011-11-09 01:13:29 -05:00 |
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feca20292a
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make the processor grid info less confusing
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2011-11-09 00:06:51 -05:00 |
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dc263fb4d9
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add gauss/cut and coul/diel for arben's implicit solvent
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2011-11-08 22:58:00 -05:00 |
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f9807b3ebf
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use single precision FFT-2 for now
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2011-11-08 22:30:23 -05:00 |
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63dd17808d
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remove threaded gpu style and update install script for cg/cmm lj/sdk rename
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2011-11-08 22:30:00 -05:00 |
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07e32b3836
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add backward compatibility with cg/cmm style
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2011-11-08 18:05:05 -05:00 |
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45f492e42b
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fix bug that killed coulomb contributions
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2011-11-08 18:04:44 -05:00 |
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fae31df039
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fix typo
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2011-11-08 18:03:58 -05:00 |
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1963ce8783
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7223 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-11-08 14:53:07 +00:00 |
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181c77d346
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7222 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-11-08 14:51:25 +00:00 |
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0ce50309a4
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more files to ignore
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2011-11-07 20:55:36 -05:00 |
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fb788f6a05
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convert lj/sdk GPU styles to use the new CPU version
warning. still buggy
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2011-11-07 20:54:30 -05:00 |
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ef385531fe
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fix bug with coefficient parsing for sdk angles
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2011-11-07 20:53:37 -05:00 |
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3fb3dfa547
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rename cg/cmm styles to the new lj/sdk names
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2011-11-07 19:32:59 -05:00 |
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023128d64a
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more files to ignore
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2011-11-07 19:12:53 -05:00 |
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45479a785a
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complete implementation of angle/sdk and add multi-threaded version
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2011-11-07 19:12:24 -05:00 |
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1c5de20564
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Merge branch 'libgpu-update' into openmp-step10
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2011-11-07 18:10:11 -05:00 |
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1c5c032435
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add threaded version of lj/sdk/coul/long
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2011-11-07 18:02:56 -05:00 |
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8a0947a718
|
bugfixes in lj/sdk potentials
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2011-11-07 18:02:38 -05:00 |
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1109a4ec5e
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fix bug in timer initialization
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2011-11-07 18:01:57 -05:00 |
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463d13d99b
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update list of files/dirs to ignore
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2011-11-06 16:00:53 -05:00 |
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255f258808
|
files to ignore
|
2011-11-06 15:59:01 -05:00 |
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c5ac2333f7
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eliminate msm styles for now
|
2011-11-06 15:57:18 -05:00 |
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f982ae2c2c
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second part of the GPU update merge
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2011-11-04 19:34:09 -04:00 |
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5f33185f56
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more files to ignore
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2011-11-03 22:30:56 -04:00 |
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24bedd7ac5
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reinstate the ns/day summary for "real" and "metal" units
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2011-11-03 22:26:34 -04:00 |
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cc0696a225
|
follow steve's changes to upstream
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2011-11-03 22:26:05 -04:00 |
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869c578511
|
make code compile with recent changes to pppm.h
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2011-11-03 22:25:43 -04:00 |
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75b1670c51
|
Merge branch 'master' into openmp-master
|
2011-11-01 19:33:41 -04:00 |
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22e01fab5f
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work around pathscale issue and improve parallelism
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2011-11-01 19:31:06 -04:00 |
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6f52b5eeae
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use default(none) for all OpenMP pragmas now
|
2011-11-01 18:44:34 -04:00 |
|
