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f254b8e3a3
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Merge pull request #1226 from akohlmey/cmake-gpu-enhancements
Enhancements for using CMake with the GPU package, improved compatibility with cmake 3.x versions, improved handling of shared library building.
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2018-11-27 16:05:47 -05:00 |
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05fb2d7587
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more generated files/symlinks to ignore
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2018-11-26 18:23:06 -05:00 |
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5df2f92651
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minor cleanup in lib/gpu
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2018-11-26 18:22:33 -05:00 |
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e0ff230268
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remove comment-in-comment
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2018-11-26 17:03:48 -05:00 |
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a91d89b516
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avoid array overflows and silence compiler warnings from unused parameters
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2018-11-21 09:24:10 -05:00 |
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421f97e444
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Merge pull request #1214 from akohlmey/collected-small-changes
Collected small changes and many spelling fixes for next release candidate
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2018-11-20 10:34:58 -05:00 |
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a7bfb30043
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update atc/cauchy_born examples with missing files
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2018-11-16 23:03:47 -05:00 |
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11de8dafe3
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Update Colvars library to version 2018-11-16
Fixes several issues with running averages and time correlation function
computations. Details are in:
https://github.com/Colvars/colvars/issues/143
https://github.com/Colvars/colvars/issues/193
https://github.com/Colvars/colvars/pull/194
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2018-11-16 09:57:07 -05:00 |
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090778c42b
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Merge pull request #1204 from lammps/doc-plumed
Linkage mode improvements and documentation updates for USER-PLUMED package
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2018-11-15 13:48:58 -05:00 |
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04520e627d
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add code and scripts to support all three plumed linkage modes with fix plumed for conventional build
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2018-11-14 21:26:36 -05:00 |
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c22c6e4d34
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Add LAMMPS changes to Kokkos Makefile
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2018-11-12 15:30:14 -07:00 |
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b2d67bcbb5
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Remove tpls dir
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2018-11-12 15:18:06 -07:00 |
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b3f08b38a2
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Update Kokkos library in LAMMPS to v2.7.24
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2018-11-12 15:16:26 -07:00 |
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a6e9b99295
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Merge pull request #1180 from gtribello/master
Add natively supported PLUMED interface to LAMMPS
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2018-11-08 16:16:50 -05:00 |
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9ed6f2fc43
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Adjust lib/kim install script and settings
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2018-11-04 20:10:04 -06:00 |
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badfdd7433
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download only the plumed-src package and include further tweaks to be compatible with plumed 2.5b
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2018-11-03 00:21:10 -04:00 |
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54c52c3bdf
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adjust compilation settings to link in plumed library statically and all its dependencies
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2018-11-02 22:52:36 -04:00 |
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85a5cab663
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Update Colvars library to version 2018-10-16
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2018-11-02 17:45:20 -04:00 |
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b0938b70d5
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Merge branch 'master' into kim-v2-update
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2018-11-01 19:41:13 -05:00 |
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2a5cd1d31e
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remove debug output
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2018-10-31 00:16:44 -04:00 |
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42068944aa
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Merge branch 'master' of github.com:gtribello/lammps into fix-plumed
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2018-10-30 20:43:49 -04:00 |
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e3b89b60dc
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add checksum support for downloaded tar archives. upgrade to v2.4.3
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2018-10-30 20:43:20 -04:00 |
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044507640f
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include Plumed.h with full path
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2018-10-29 06:52:19 -06:00 |
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283096d1d5
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update .gitignore
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2018-10-29 03:50:55 -04:00 |
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360aca581c
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remove last reference to voro++
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2018-10-28 21:56:49 -04:00 |
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bfbf5695fd
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adjust path for includelink to find the Plumed.h wrapper properly
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2018-10-28 21:30:37 -04:00 |
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a60b6d1ab8
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add feature to python lib install script to support existing installation and use links
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2018-10-28 18:12:32 -04:00 |
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ff9f836be4
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Merge remote-tracking branch 'upstream/master'
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2018-10-26 22:01:05 +01:00 |
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f61f43a56b
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Merge branch 'master' into kim-v2-update
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2018-10-01 21:17:26 -05:00 |
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634ed487a5
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Use pkg-config to find kim-api-v2 library settings
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2018-09-04 22:43:55 -05:00 |
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ff2e13e063
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Merge branch 'master' into ScaFaCoS
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2018-09-04 21:35:46 -04:00 |
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796b6b2d9c
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Merge branch 'master' into kim-v2-update
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2018-08-24 14:28:33 -05:00 |
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89a3670fb5
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merge master into cslib branch, update docs
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2018-08-22 11:19:55 -06:00 |
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c4b55385e2
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doc updates
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2018-08-22 10:40:39 -06:00 |
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9a15d0bd83
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Merge branch 'master' into scafacos
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2018-08-22 09:25:29 -06:00 |
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c719af8bcd
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remove wrong link optimization flag
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2018-08-20 13:42:34 -06:00 |
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f73ffb829b
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add a needed ifort flag for LAMMPS/LATTE link
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2018-08-20 11:20:23 -06:00 |
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d0667d21cc
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Merge branch 'master' into kim-v2-update
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2018-08-18 12:23:19 -05:00 |
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ccacf0d4bb
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Merge pull request #1048 from lammps/doc-reorg-start
Documentation Refactoring: Section Start
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2018-08-15 15:25:17 -06:00 |
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9c3748e07c
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change Python.txt to Python_head.txt, adapt GPU package syntax
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2018-08-15 07:31:31 -06:00 |
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ad9126f30e
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Kokkos bugfix for building with cmake
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2018-08-14 22:19:20 -04:00 |
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7ec52784cb
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more changes to doc pages and CMakeLists.txt
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2018-08-14 15:44:25 -06:00 |
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781ddc07c7
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update to CSlib website link
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2018-08-13 15:29:28 -06:00 |
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65d11171c4
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Replace functions which were deprecated since CUDA 5
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2018-08-09 03:36:21 -04:00 |
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6d60075d3b
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GPU Package: Use __shfl_xor_sync starting with CUDA 9
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2018-08-09 02:33:35 -04:00 |
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fc93a79fdd
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updated to support ScaFaCoS 1.0.1
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2018-08-08 14:05:28 -06:00 |
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76ad2b35a9
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Merge remote-tracking branch 'origin/master' into ScaFaCoS
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2018-08-08 09:53:32 -06:00 |
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985318203d
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Merge pull request #1038 from stanmoore1/issue-1037
KOKKOS Package bugfix: Workaround for issue #1037
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2018-08-08 08:42:21 -06:00 |
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ac7aeb6862
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Add extra check for OpenCL timers
Fixes issue #1034 by preventing time() to access non-existent OpenCL events
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2018-08-07 21:43:59 -04:00 |
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953b283773
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updated URL for tarball download
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2018-08-06 15:59:46 -06:00 |
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