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43642a6040
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Kokkos 4 checks for compatible compilers so this is no longer needed.
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2024-01-05 02:51:41 -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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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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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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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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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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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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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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2305c4cb30
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Merge branch 'develop' into cmake-3.16
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2023-08-03 17:39:15 -04:00 |
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794e3d11df
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Merge pull request #3670 from stanmoore1/kk_update_4.0
Update Kokkos library in LAMMPS to v4.1.0
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2023-08-03 17:36:22 -04:00 |
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6e9a6e6b0b
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Merge pull request #3856 from akohlmey/remove-mscg-package
Remove MSCG package from LAMMPS distribution
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2023-08-03 17:29:56 -04:00 |
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e0055ea929
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Merge branch 'develop' of github.com:lammps/lammps into kk_update_4.0
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2023-08-03 13:42:48 -06:00 |
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e299fa9aab
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add option to skip building for multiple GPU archs
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2023-07-20 14:00:21 -04:00 |
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9b7bd71ab6
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remove MSCG package from LAMMPS distribution
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2023-07-16 21:04:58 -04:00 |
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78470febbd
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Merge branch 'develop' of github.com:lammps/lammps into kk_update_4.0
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2023-07-14 17:59:15 -06:00 |
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5878040f26
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skip undesired 'make install' targets from bundled Kokkos library
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2023-07-01 18:44:57 -04:00 |
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b50fc0be78
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remove obsolete CONFIGURE_DEPENDS backward compatibility hack
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2023-06-30 23:19:53 -04:00 |
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71b48253e8
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remove special case CMake code for versions before 3.16
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2023-06-30 23:15:37 -04:00 |
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7c9b7eecf3
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Update CMake
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2023-06-29 10:48:35 -06:00 |
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e1573a11a6
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Update CMake
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2023-06-05 15:07:07 -06:00 |
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39eaab5278
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Merge branch 'kk_update_3.7.2' of github.com:stanmoore1/lammps into kk_update_4.0
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2023-06-05 11:05:26 -06:00 |
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2e09ba2702
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Update CMake
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2023-06-05 10:08:20 -06:00 |
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f138117ecf
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Merge branch 'develop' of github.com:lammps/lammps into kk_update_4.0
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2023-04-18 12:36:08 -06:00 |
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9a1250a9d7
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Merge branch 'develop' of https://github.com/lammps/lammps into granular-kokkos
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2023-04-10 12:46:13 -06:00 |
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ff5b4e971d
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Merge pull request #3725 from akohlmey/collected-small-changes
Collected small changes and fixes
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2023-04-10 13:53:16 -04:00 |
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415be03f6c
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improve dependency processing
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2023-04-10 09:26:49 -04:00 |
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bc4d664f2b
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Fully integrate cross-compiling Plumed2 lib into CMake build system
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2023-04-10 07:23:46 -04:00 |
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f84a31dfdf
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change folder for patches, so we can set PLUMED_ROOT accordigly
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2023-04-09 01:46:58 -04:00 |
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71700b8765
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use explicit target to update/copy precompiled plumed files
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2023-04-08 18:07:03 -04:00 |
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d5680f0c6d
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fix typo
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2023-04-08 15:44:56 -04:00 |
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a6a8f2c451
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more tweaks for cross-compiling plumed for windows
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2023-04-08 15:28:18 -04:00 |
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a98a77041e
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add option to include PLUMED into cross-compiled Windows binaries
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2023-04-08 15:05:46 -04:00 |
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317c7761d4
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cmake: Skip OpenMP version check for (AMD)Clang
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2023-04-07 00:18:55 -06:00 |
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4e8038a4f5
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Add DetectHIPInstallation.cmake
Extending CMAKE_PREFIX_PATH is needed in both GPU and KOKKOS package to
make HIP CMake available.
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2023-04-06 23:17:23 -06:00 |
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ebb8eee941
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cmake: use find_package for hipfft dependency
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2023-04-06 21:12:25 -06:00 |
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ec8e0f84a0
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Merge branch 'develop' of github.com:lammps/lammps into granular-kokkos
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2023-03-31 16:12:00 -06:00 |
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0965d9da2b
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remove references to LATTE packages in CMake scripts
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2023-03-29 17:33:38 -04:00 |
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1991332887
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Merge branch 'develop' of github.com:lammps/lammps into kk_update_4.0
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2023-03-24 09:17:32 -06:00 |
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f1b0e911e1
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support using old fix wall/gran files with KOKKOS in CMake
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2023-03-23 17:56:26 -04:00 |
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