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e26a762f88
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improve compatibility of oneapi.cmake preset
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2024-01-04 11:21:38 -05:00 |
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dd1ac640ae
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Added declaration for FFT_KOKKOS variable
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2023-12-18 12:56:30 -05:00 |
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cddce67931
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Merge branch 'develop' into issue3775_fft_kokkos
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2023-12-18 12:14:15 -05:00 |
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bc7050ab50
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Added LMP_HEFFTE to CMakeLists.txt to attempt to fix a merge conflict
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2023-12-18 12:11:31 -05:00 |
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bc47f4f3a3
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Updated CMake preset files for kokkos-cuda and kokkos-hip
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2023-12-18 11:56:23 -05:00 |
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c45183d45c
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Updated CMake build system to allow for FFT_KOKKOS parameter. Updated CMakeLists.txt to print the correct value when summarizing.
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2023-12-14 15:38:45 -05:00 |
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0c4a1cb21d
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Merge pull request #4009 from ndtrung81/gpu-updates-Dec23
GPU package updates Dec 2023
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2023-12-13 11:59:10 -05:00 |
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8104f68bc1
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Merge pull request #3963 from mkstoyanov/heffte_integration
Heffte integration
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2023-12-12 17:27:02 -05:00 |
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76bf35fa4d
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Added -allow-unsupported-compiler to nvcc for both CMake and traditional CUDA builds
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2023-12-10 14:42:27 -06:00 |
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e51a8ccfbf
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Removed the unnecessary line since CUDA_BUILD_MULTIARCH is ON by default
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2023-12-07 12:00:24 -06:00 |
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e53b3c76f5
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Updated doc pages for the added pair styles, added a cmake preset for gpu-cuda, added "comm_modify vel yes" to in.mdpd
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2023-12-05 15:32:57 -06:00 |
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3c331321b3
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update the naming convention
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2023-12-01 15:12:23 -05:00 |
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bc7d0f5d50
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renamed cmake option
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2023-12-01 15:12:23 -05:00 |
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d0ae489dda
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addressed some pr comments
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2023-12-01 15:12:23 -05:00 |
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a6e629f4e4
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update variable names
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2023-12-01 15:12:23 -05:00 |
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77ad067458
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added documentation
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2023-12-01 15:12:23 -05:00 |
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03b6b2d030
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enable automatically downlowding of heffte
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2023-12-01 15:12:23 -05:00 |
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5bbdfe5b4f
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enabled the use of heffte for the cpu backend
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2023-12-01 15:12:23 -05:00 |
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87c9891c07
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Merge remote-tracking branch 'public-lammps/develop' into feature/zbl
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2023-11-28 09:13:37 +01:00 |
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99f0a7aa8e
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upd version string in ML-PACE package
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2023-11-27 22:38:35 +01:00 |
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c0631c9bd2
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add per-atom array corerep_factor to all four pair styles: pace, pace/extrapolation, pace/kk, pace/extrapolation/kk
upd PACELIB_URL to v.2023.11.25 (+md5sum) in ML-PACE.cmake and Install.py
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2023-11-25 23:04:18 +01:00 |
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e4149035fa
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restore using nvcc_wrapper with kokkos-cude.cmake preset
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2023-11-25 05:58:43 -05:00 |
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2e421b2eac
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fix ML_PACE.cmake
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2023-11-22 10:36:39 +01:00 |
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77549414ae
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- implementation of ZBL-core repulsion with smooth transition from ACE to ZBL + Kokkos implementation
- automatic BBasis(.yaml) to CTildeBasis(.yace) conversion for pair_pace
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2023-11-22 10:19:18 +01:00 |
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6b822c1d0e
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Update CMake
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2023-11-21 15:13:56 -07:00 |
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fc28fc318b
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Update CODEOWNERS for cmake
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2023-11-21 10:57:33 -07:00 |
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3c73882a68
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update Purge.list and avoid redundant checks
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2023-11-19 08:59:27 -05:00 |
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c66710934d
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reduce warnings when compiling with intel classic compilers
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2023-11-18 06:22:16 -05:00 |
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be286d2c7d
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lower the C++ standard to 14 for some files when compiling with intel classic compiler
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2023-11-18 06:21:28 -05:00 |
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ceed4c7db8
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for consistency with CMake 3.12+ we should set Python_EXECUTABLE instead of PYTHON_EXECUTABLE
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2023-10-24 07:51:54 -04:00 |
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02d66ea4ca
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Merge pull request #3939 from yury-lysogorskiy/feature/ml-pace-bgrad
upd ML-PACE.cmake and Install.py (new version v.2023.10.04 and checks…
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2023-10-13 11:18:44 -04:00 |
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d29ae7af92
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upd ML-PACE.cmake and Install.py (new version v.2023.10.04 and checksum) that should fix build issues with KOKOKOS
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2023-10-13 12:05:28 +02:00 |
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a4eaf1e6bd
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Merge branch 'develop' into lammps-gui-ubuntu20-backport
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2023-10-09 21:32:35 -04:00 |
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63aa467959
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add support of computing B-grads (and C-tilde grads)
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2023-10-04 12:32:24 +02:00 |
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b2f62bbd1a
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include FFMpeg and gzip into windows zip archive for LAMMPS GUI
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2023-09-24 17:52:43 -04:00 |
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a9f15f6a29
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update preset
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2023-09-21 19:09:57 -04:00 |
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b75b0ff3d5
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sync naming of resulting archives with macOS
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2023-08-30 07:37:53 -04:00 |
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34b26ffb74
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final tweaks for macOS packaging
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2023-08-30 07:04:15 -04:00 |
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207cb5bb51
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update LAMMPS GUI bundling for macOS
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2023-08-30 06:42:56 -04:00 |
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df1e2a64d2
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the MESONT package depends on the MOLECULE package since the last upgrade
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2023-08-23 19:03:34 -04:00 |
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351a9dd11f
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Merge remote-tracking branch 'github/develop' into collected-small-changes
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2023-08-23 03:02:29 -04:00 |
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a81412f015
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remove MPIIO sources and references to them. update Purge.list and build systems
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2023-08-20 21:51:33 -04:00 |
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a86c0ed671
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suppress pointless warning by MSVC++ compilers
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2023-08-19 17:48:03 -04:00 |
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d8541e1318
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Merge branch 'develop' into lammps-gui-improvements
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2023-08-15 21:23:58 -04:00 |
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2728f6763e
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updated output and cross-check
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2023-08-14 18:47:27 -04:00 |
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b53c564190
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update clang-format detection for compatibility with Debian
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2023-08-14 15:13:43 -04:00 |
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d7b5387712
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enforce C locale, so that numbers are created and parsed correctly in the GUI text editor
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2023-08-09 00:34:35 -04:00 |
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951b344a07
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Merge branch 'develop' into cmake-3.16
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2023-08-04 13:05:08 -04:00 |
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1a5b947593
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flag if we are cross-compiling
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2023-08-04 08:02:06 -04:00 |
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e958cc0ef1
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silence warning about a setting that was added to silence warnings
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2023-08-04 08:01:57 -04:00 |
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