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d5027c125c
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rename fmt() macro to logfmt() to avoid clashes with fmtlib
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2020-09-02 17:58:22 -04:00 |
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67a5db03c7
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Merge pull request #2326 from ndtrung81/gpu-update-makefiles
update makefiles in lib/gpu for more recent architectures
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2020-08-31 12:30:28 -04:00 |
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ecb1f266b5
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More updates
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2020-08-30 15:10:29 -05:00 |
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7a5f193c02
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Updated several Makefile's in lib/gpu for newer compute capabilities
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2020-08-30 15:06:44 -05:00 |
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fdb726629f
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revert "fix" for pair style beck/gpu and correct beck and beck/omp instead
we should consistently apply factor_lj for both, force and energy, or not
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2020-08-27 17:14:05 -04:00 |
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a4f1be8fe3
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Merge branch 'master' into gpu-bugfix
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2020-08-27 17:05:26 -04:00 |
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e4e15157f8
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Fixed bugs in the GPU kernels of pair styles beck/gpu and gauss/gpu involving factor_lj
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2020-08-26 23:41:00 -05:00 |
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d00807ee9a
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Merge pull request #2311 from stanmoore1/kk_update_3.2
Update Kokkos library in LAMMPS to v3.2
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2020-08-26 15:35:25 -04:00 |
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4d90c2b74b
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Update Kokkos library in LAMMPS to v3.2
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2020-08-25 20:21:48 -06:00 |
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0842911cd8
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Rename local buffers 'red_acc' in lal_tersoff*
Rename __local red_acc in lal_tersoff
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2020-08-23 22:22:28 +03:00 |
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8e74d5ad02
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Eigen3 is now hosted at GitLab. The bitbucket repo is gone. Update URLs and MD5s
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2020-08-18 21:29:43 -04:00 |
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7e5e741ea1
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update code for ufm/gpu to match changes in base class where uf4 is removed
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2020-08-03 08:12:09 -04:00 |
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db47eeb2a9
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Fix handling of CL_DEVICE_TYPE flags
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2020-07-31 19:21:32 +03:00 |
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29c50671da
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Merge pull request #2254 from Vsevak/fix_opencl
Fix corrupted character in GPU package
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2020-07-27 20:08:18 -04:00 |
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477b97f257
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remove some more extended ASCII characters
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2020-07-27 17:33:35 -04:00 |
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2bb5c53a47
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remove/replace extended ASCII characters from comments
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2020-07-27 17:15:29 -04:00 |
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634f274a04
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whitespace cleanup: replace tabs and remove trailing whitespace
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2020-07-27 17:14:53 -04:00 |
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93f14e9bba
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Fix broken ASCII symbol in GPU package
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2020-07-27 20:16:55 +03:00 |
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ebfe7f68af
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More cleanup
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2020-07-05 00:20:28 -05:00 |
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c488e6208d
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Similar bug fixes to vashishta/gpu
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2020-07-04 23:52:32 -05:00 |
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adacc7f2a4
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Similar bug fixes for tersoff/mod/gpu and tersoff/zbl/gpu; some cleanup for sw/gpu
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2020-07-04 19:08:55 -05:00 |
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9f733fb305
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Removed unused variables
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2020-07-04 00:23:34 -05:00 |
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6de020805f
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Fixed a bug with tersoff/gpu with building the short neighbor list
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2020-07-03 23:55:26 -05:00 |
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66271448ae
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Merge pull request #2167 from Vsevak/master
Update GPU CMake and Makefile scripts for ROCm v3.5
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2020-06-26 13:43:32 -04:00 |
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3c19a49605
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Merge pull request #2190 from akohlmey/more-fmtlib-uses
Reduce use of local print buffers, simplify output handling with std::string and fmtlib
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2020-06-26 12:08:46 -04:00 |
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d46a1254e4
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remove non-ASCII characters.
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2020-06-25 21:11:32 -04:00 |
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496bd55dc9
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Fix lj/cut/tip4p/long/gpu virial
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2020-06-25 17:30:51 +03:00 |
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0ba701acd7
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Remove trailing space
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2020-06-20 17:25:16 +03:00 |
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723b9e6760
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Try to keep compatibility with deprecated ROCm hcc compiler
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2020-06-20 15:17:54 +03:00 |
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8eed1b27ff
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GPU Makefile cleanup
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2020-06-19 00:07:10 +03:00 |
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f75b8e1688
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Fix Makefile for GPU ROCm 3.5 backend
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2020-06-18 00:33:46 +03:00 |
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a7967f8b3f
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Merge remote-tracking branch 'origin/master'
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2020-06-17 23:31:06 +03:00 |
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9aee8d41bd
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Merge branch 'master' into collected-small-changes
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2020-06-15 12:12:45 -04:00 |
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622db7053e
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Merge remote-tracking branch 'origin/master'
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2020-06-15 18:38:40 +03:00 |
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4042b836c2
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enable full c++11 in colvars, same as LAMMPS
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2020-06-14 12:18:51 -04:00 |
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92d54d2764
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not portable to use "mpi"
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2020-06-12 09:01:59 -04:00 |
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cf359dede2
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Merge pull request #2139 from akohlmey/fetch-potentials
Add feature to transparently download external potential files when packages are enabled
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2020-06-12 06:28:42 -04:00 |
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d61d8899ff
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Merge branch 'fetch-potentials' into feature-cnt
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2020-06-12 05:54:45 -04:00 |
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cf5c748fb4
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Merge branch 'master' into feature-cnt
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2020-06-12 05:53:17 -04:00 |
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d1546262a4
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replace non-standard tabs with blanks
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2020-06-12 05:15:23 -04:00 |
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74df1bcf7d
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update makefiles and add dependencies for parallel compile
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2020-06-12 05:07:19 -04:00 |
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77a38c2a0a
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remove (unsupported) reference to AMD Ryzen
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2020-06-11 17:03:20 -04:00 |
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64a4e5e21a
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make kokkos configuration keywords in traditional build case insensitive
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2020-06-10 15:53:09 -04:00 |
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6891fa2610
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update a few URLs to use https: instead of http:
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2020-06-10 12:34:09 -04:00 |
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9bf47cd9f3
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make KOKKOS library compilation compatible with mode=shared
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2020-06-05 13:58:11 -04:00 |
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bddd6d5e84
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update
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2020-05-19 23:19:49 -04:00 |
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ed43c1e22b
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Merge branch 'master' into feature-cnt
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2020-05-18 18:23:16 -04:00 |
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e26be18b1e
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update
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2020-05-18 17:28:48 -04:00 |
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3b77546eb9
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Merge pull request #2069 from junghans/latte_v1.2.2
latte: bump to v1.2.2
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2020-05-07 14:27:19 -04:00 |
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69a6a8e064
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pull in kokkos-3.1.01
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2020-05-07 10:22:42 -06:00 |
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