lammps:1823fc2bd183f661ec11fb394fdd38758848d204 commits - 南方科技大学 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commits/1823fc2bd183f661ec11fb394fdd38758848d204 2018-08-15T07:50:10-06:00 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/1823fc2bd183f661ec11fb394fdd38758848d204 commands.txt -> commands_list.txt to avoid conflict with Commands.txt 2018-08-15T07:50:10-06:00 Steven J. Plimpton sjplimp@singsing.sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6eededb190eda084fc24dea5e70763631e201cab one more tweak 2018-08-15T07:45:52-06:00 Steven J. Plimpton sjplimp@singsing.sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6c904102600abb5c708b7a3351b31e95741e078c one more file I forgot to commit 2018-08-15T07:44:36-06:00 Steven J. Plimpton sjplimp@singsing.sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/1f65150e16039e149881f0f5e09586e873f5d3e0 60 -> sm_60 for GPU_ARCH 2018-08-15T07:34:20-06:00 Steven J. Plimpton sjplimp@singsing.sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/9c3748e07cdde3014530936a7ad7158f57eb69c2 change Python.txt to Python_head.txt, adapt GPU package syntax 2018-08-15T07:31:31-06:00 Steven J. Plimpton sjplimp@singsing.sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ad9126f30e767942c15175bd1c780d7fcf4c10f4 Kokkos bugfix for building with cmake 2018-08-14T22:19:20-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b72048097c830f1a2813c29bf7f4f494d4d951a7 Correct Build_settings.txt 2018-08-14T22:17:40-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/9526db44ce641e0308e2685f20485e0439ba6a2b Fix lammps.book and broken link 2018-08-14T22:10:08-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/63f57bbece04ea87164ec75f3f3f98700e109af2 small tweak on USER-INTEL section 2018-08-14T16:07:04-06:00 Steven J. Plimpton sjplimp@singsing.sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/7ec52784cb34e80704ce1e7d9f19e4b1f059c973 more changes to doc pages and CMakeLists.txt 2018-08-14T15:44:25-06:00 Steven J. Plimpton sjplimp@singsing.sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/64d539d9d2709fd80b50273552d8982f1bd1e56a Disable sin/cos check in CMakeLists.txt since it breaks KOKKOS CUDA support 2018-08-14T11:56:57-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/7ab11488d06505c53ecfab87974d8c3ffeb9ac7f Added brief discussion on how to use presets files with CMake 2018-08-14T11:51:37-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/3384c683dfa636a3a97a65b045a3e9dc05918d04 Correct FFT_PACK in CMakeLists.txt 2018-08-14T11:41:22-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/13bb02b100e0a1e9d20469d63f42551102b06011 Updated CMake build for USER-INTEL 2018-08-13T19:58:54-04:00 Richard Berger richard.berger@temple.edu - Removed differences between MAKE/OPTIONS/Makefile.intel_cpu/coprocessor and CMake compilation and added INTEL_ARCH to select between CPU and KNL. - Added some sanity checks for requirements - Added FindTBB https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/afbfaf0a8f20ed56754059820e44b11b59a5e6c9 Change LAMMPS_SIZE_LIMIT to LAMMPS_SIZES and use lower case values 2018-08-13T15:53:50-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8634301b53463613031774230cad7d2fa82fb950 Limit depth of howto tocs 2018-08-13T11:48:32-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/fef2b8260bb28de39c26ac36cc28fa4678bea3b1 Correct CMake FFT settings in docs 2018-08-13T11:46:46-04:00 Richard Berger richard.berger@temple.edu The upper or lowercase matters. It won't work with lower case. https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6e8a68a420bf62e745f7080744d1b728b354ebad fix a bunch of typos and broken links as detected by ebook-convert 2018-08-12T17:16:24+02:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/11f04fde5c0b66e9fd2dc79b1c0b75930dc70988 fix typo 2018-08-12T16:44:31+02:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e01185c28386a8dc426b91204abf14708a2a8d1a correct some errors and misconceptions about zlib and USER-OMP 2018-08-12T16:44:26+02:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/907b061e0b1086e84479622f267847fdb2a54319 more updates to Build doc page 2018-08-10T15:04:33-06:00 Steven J. Plimpton sjplimp@singsing.sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b33452040a83ef9a0b08226e95cf6b18453eb1da correct FFT definitions in docs and make -DFFT_KISSFFT explicit in CMake 2018-08-10T17:27:40+02:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ddd8533d819ff2aba8cc537e115b384ca935795a make -DLAMMPS_MEMALIGN optional in CMake by checking of 0 alignment. also som... 2018-08-10T16:33:20+02:00 Axel Kohlmeyer akohlmey@gmail.com this changes the CMake configuration file. also, the special case of Windows not supporting posix_memalign() is documented. some more explanations for FFTs and memory alignment are added https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/bc8939a08b9fba2b45f6b59ec2a42f250e80b718 more corrections/rewrites/additions for OpenMP, QM/MM and USER-QUIP 2018-08-10T15:55:32+02:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f67b198c24a02ee785f87dc222288601aee58112 discourage the use of MEAM and REAX, which have been supersede by USER-MEAMC ... 2018-08-10T13:04:31+02:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/13d1f26a0fa5a5e6167c68bd45bea41e3692b12c provide additional information about building QM/MM with QE 2018-08-10T12:15:49+02:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8318b96c118348ecc9b6112ad3164b2a959b0d55 update OpenMP support info in build basics 2018-08-10T11:54:51+02:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0b523cb48e2fcb884a273b3d76474d2c19ae5c33 some rewording and updates for the traditional and cmake documentation 2018-08-10T11:38:59+02:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/76289cd955d1bd6fc5397fa150a66cbdd0845b3b Add LAMMPS shared library instructions for CMake 2018-08-09T17:50:55-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/edb535d36fad7ca1d2dd144f6659db7f77a534cf Fix some of the missing TODOs in cmake docs 2018-08-09T17:21:00-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/4db08f53510af9ad53da09185ce20cbd45af820a Some tweaks and corrections 2018-08-09T16:02:54-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/630a46ad6764638dda8cd06f1bc88c929bc5e81b Move Manual_version to Intro 2018-08-09T14:53:40-04:00 Richard Berger richard.berger@temple.edu It should not be its own chapter. The intro seems to be the right place for it. https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/aca9416c7f21ccbb02fd585e500014a910d78265 Merge branch 'master' into doc-reorg-start and resolve merge conflicts with m... 2018-08-09T20:18:12+02:00 Axel Kohlmeyer akohlmey@gmail.com Conflicts: doc/src/Speed_kokkos.txt doc/src/package.txt https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f7164e593e3ea08e42f5df16e235b880b7a88e38 fix a few more broken or non-unique links 2018-08-09T20:09:11+02:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a5170e93ece28c35af98ce72adb38dc5b14d32f0 fix a bunch more broken, duplicate links and misformatted text 2018-08-09T19:46:25+02:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/108f2d0ed7f9ddddf45b0d5490d77ad0237918eb Merge branch 'collected-small-changes' into doc-reorg-start 2018-08-09T18:48:11+02:00 Axel Kohlmeyer akohlmey@gmail.com Resolved Conflicts: doc/src/Packages_details.txt doc/src/Python_shlib.txt doc/src/fix_manifoldforce.txt 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/cfc1b3a82399f636197d3271deeaaf522519f681 more changes induced by removing Section_start.txt 2018-08-09T10:20:02-06:00 Steven J. Plimpton sjplimp@singsing.sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c97e6537c805abcae1a6e8fd466b07f070b8d2c7 changes to replace Section_start.txt 2018-08-09T10:19:10-06:00 Steven J. Plimpton sjplimp@singsing.sandia.gov 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