lammps:b9e2b26b65d98a4614ffdcb8f758ff9c42a9c8d2 commits - 南方科技大学 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commits/b9e2b26b65d98a4614ffdcb8f758ff9c42a9c8d2 2018-08-15T12:22:06-04:00 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b9e2b26b65d98a4614ffdcb8f758ff9c42a9c8d2 Simplified change 2018-08-15T12:22:06-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/135b877161e311b97169cc7610be37ed5044b4fd Make sure -fPIC is passed to ExternalProject VORO if BUILD_SHARED_LIBS=on 2018-08-10T15:01:46-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/28c03e45182d267d0c951d8ca66ae5017e9b5350 Merge pull request #1046 from rbberger/gpu_fix_deprecated 2018-08-10T09:30:02-06:00 Steve Plimpton sjplimp@sandia.gov Replace deprecated CUDA functions calls in GPU package https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6663fbeb113177be706564416776f1cef43d3ebb Merge pull request #928 from akohlmey/fix-rcb-balance-issue 2018-08-09T10:24:38-06:00 Steve Plimpton sjplimp@sandia.gov Fix rcb balance issue https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/9dde50a4f2c6c51f8dc31cc2f5e51ae8d16e59fb Merge pull request #1042 from akohlmey/kokkos-vs-gpu-direct 2018-08-09T09:25:24-06:00 Steve Plimpton sjplimp@sandia.gov Kokkos vs gpu direct https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/08636889ca05db7658728b4dd0e2a7cb2bd37f01 Merge pull request #1043 from lammps/compute-cluster-atom 2018-08-09T09:15:09-06:00 Steve Plimpton sjplimp@sandia.gov bug fix for compute cluster/atom when computing values used to update… https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d5594350c4f57dae239ba5c3c00b1f831f3456e2 change zero-size shrink box to original box 2018-08-09T08:50:11-06:00 Steven J. Plimpton sjplimp@singsing.sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/9521814441246f55c3d26087bc2e09b597c22978 rename Kokkos::gpu_direct to Kokkos::gpu_direct_flag 2018-08-09T04:52:58-04:00 Axel Kohlmeyer akohlmey@gmail.com This is for consistency with other parts of LAMMPS where such variables have "flag" in their name. Also reduces confusion with have_gpu_direct() function. When we can safely detect, that GPU-direct is not available, change the default setting of Kokkos::gpu_direct_flag from 1 to 0 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/dd9fed11dc047ab3b1acd512e58666c51f0cdade use '-pk kokkos gpu/direct on/off' consistently in comments and docs 2018-08-09T04:16:22-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/65d11171c4ee6afb14b72df7759828af0a700ddc Replace functions which were deprecated since CUDA 5 2018-08-09T03:36:21-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/01b81347468fede39abc6e90845827572f116a1c Small tweak to GPU direct not available warning 2018-08-09T09:35:11+02:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6d60075d3bef9f874fed97ef2c3a7412b4a47e0a GPU Package: Use __shfl_xor_sync starting with CUDA 9 2018-08-09T02:33:35-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/32658c20d48340afa4fca9813c44a4a95b50c625 Fix typo in gridcomm_kokkos 2018-08-08T17:07:12-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/1c550d8f39ce3db88050333860395923f406726f Change defaults for GPU-direct to use comm host 2018-08-08T16:46:36-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d8aa6d534b8025a16c9aec0f7499742ff5e04975 Remove hardcoded GPU-direct in KOKKOS package 2018-08-08T16:09:41-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/9202896e75330db552759ddfa84cb2ffe97f0d8b bug fix for compute cluster/atom when computing values used to update a dynam... 2018-08-08T09:31:16-06:00 Steven J. Plimpton sjplimp@singsing.sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/985318203d12b041c6f4ae5057dfe5afa1a362e9 Merge pull request #1038 from stanmoore1/issue-1037 2018-08-08T08:42:21-06:00 Steve Plimpton sjplimp@sandia.gov KOKKOS Package bugfix: Workaround for issue #1037 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ff87cdb8f477a8d7ef2b2baec66283de1d7bc3fc Merge pull request #1041 from rbberger/fix_gpu_segfault 2018-08-08T08:41:32-06:00 Steve Plimpton sjplimp@sandia.gov Add extra check for OpenCL timers https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a3fad229ab0c2718908f8be1703d11674353fdda Merge pull request #1040 from lammps/natom 2018-08-08T08:41:15-06:00 Steve Plimpton sjplimp@sandia.gov enable more correct natoms computation when atoms are lost https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/fac5e29f485eb90979e5c0b8683c8112984a115a Merge pull request #994 from danicholson/user-uef-image-flags 2018-08-08T08:40:56-06:00 Steve Plimpton sjplimp@sandia.gov USER-UEF support for image flags https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/64e152bced4dfb792e2c71f5d83f87b85704e354 add some notes about GPU-direct support requirements to the manual 2018-08-08T14:25:49+02:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/5d87e0c6515f52c68180194496f9b21a8a66e6a4 add wrapper for MPI implementation specific GPU-direct detection 2018-08-08T13:57:41+02:00 Axel Kohlmeyer akohlmey@gmail.com this adds a local wrapper function have_gpu_direct(), that informs about the support for GPU-direct, if possible and add a warning message in case it cannot be detected or is not available and using more than 1 MPI rank. https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/3d537850fd7478b2b0cc98a7d029e3d530664127 make communication settings consistent, in case the package command is used m... 2018-08-08T10:20:24+02:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b6c458192cbb752d466f602cc51f60d8e6814238 reword misleading message about GPU usage 2018-08-08T10:19:48+02:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ac7aeb68626c61b484591dee82b12b95b4de0da0 Add extra check for OpenCL timers 2018-08-07T21:43:59-04:00 Richard Berger richard.berger@temple.edu Fixes issue #1034 by preventing time() to access non-existent OpenCL events https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d27215b7e1a303defc72ad3eb1c3b27c60eb67bc enable more correct natoms computation when atoms are lost 2018-08-07T15:05:07-06:00 Steven J. Plimpton sjplimp@singsing.sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/32917f4caa7d1beb8526d02e9ce2fd247704641e Workaround for issue 1037 2018-08-06T10:50:06-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e88311235f3631e702421ec6fe2ebf1afb3280a8 Merge pull request #1033 from lammps/doc-reorg-commands 2018-08-06T08:20:59-06:00 Steve Plimpton sjplimp@sandia.gov replace Section_commands.txt file https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/78bddacd880c0bee8ce730b70a7a9ebc2da8e88d Merge pull request #1032 from lammps/slope 2018-08-06T08:20:32-06:00 Steve Plimpton sjplimp@sandia.gov bug-fix for slope() function in variable https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/fba9f0aaae4eb5e41c448e1aba068ccdc9709549 Fix various links 2018-08-06T00:10:06-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6927ed5eb9d6aa8a985428c3a3748ca0e6545035 Fix pair body rounded polygon and polyhedron links 2018-08-06T00:01:38-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6de3dab72a152652acb6d5591f84401fd2b9366e Remove duplicates 2018-08-05T23:59:52-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/82744773b33a5d372687ba26f5edd68249d2a85e replace Section_commands.txt file 2018-08-03T16:04:54-06:00 Steven J. Plimpton sjplimp@singsing.sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/31c3c6c93ea81794c7ce514a01ca32db301d7266 Merge pull request #1031 from akohlmey/cmake-cross-linux-mingw 2018-08-03T14:55:03-06:00 Steve Plimpton sjplimp@sandia.gov Allow cross-compiling from linux to windows with cmake https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/382e3b08ac914fb78002cba657a1081f93250389 Merge pull request #1028 from lammps/doc-reorg-intro-howto 2018-08-03T14:54:34-06:00 Steve Plimpton sjplimp@sandia.gov changes for Intro and Howto doc pages https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/5789ef91283b353753573cdee492ca758ec1837b bug-fix for slope() function in variable 2018-08-03T10:08:02-06:00 Steven J. Plimpton sjplimp@singsing.sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2321c8ff37eed3e9ddfdee551d60859bec232f62 Merge remote-tracking branch 'origin/master' into doc-reorg-intro-howto 2018-08-03T00:12:58-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/9cc75792d690014555b52f8a0876bbcfb04d81ab Update lammps.book 2018-08-02T23:29:29-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f3300135849de9ffaa657ffd7da795e2431706d9 lost SPIN in package list 2018-08-02T14:26:02-06:00 Steven J. Plimpton sjplimp@singsing.sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/39f61a78f26308dc844a8b25f98c600566a463bb couple more doc page tweaks 2018-08-02T14:09:00-06:00 Steven J. Plimpton sjplimp@singsing.sandia.gov