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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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ed8b06a756
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Merge pull request #3628 from lammps/fix-mdi-qmmm
Add a fix mdi/qmmm command for running QMMM via MDI code coupling
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2023-03-23 12:33:00 -04:00 |
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e317b0eb7e
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update kim unit tests for recent changes, make variable for extended test an option
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2023-03-20 07:11:47 -04:00 |
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f63befc80f
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consolidate replicated commands to single location
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2023-03-16 10:29:00 -04:00 |
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0e3dc6fefa
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Download the latest MSCG snapshot to address bug in library.
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2023-03-16 08:01:26 -04:00 |
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d8d1235773
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update MDI library version to 1.4.16
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2023-03-14 11:59:19 -04:00 |
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03454aeefb
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compile GPU library with thread support when BUILD_OMP is enabled
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2023-03-13 23:07:11 -04:00 |
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21293f1c08
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update links and hashes for new plumed2 releases
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2023-03-13 12:10:41 -04:00 |
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68ed9ec85e
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Merge branch 'develop' into collected-small-changes
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2023-03-07 19:39:26 -05:00 |
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19a3e2f6b3
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CUDA 12 is now tested
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2023-03-07 13:47:09 -05:00 |
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0b204c8cb3
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avoid including accelerator_kokkos.h in main.cpp
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2023-03-06 22:40:35 -05:00 |
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f63eec6953
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gpu: drop hcc as platform and inherit compile defs
hip::host already adds the __HIP_PLATFORM_AMD__ definition
See https://github.com/ROCm-Developer-Tools/hipamd/blob/develop/hip-config.cmake.in#L180
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2023-03-06 09:49:00 -07:00 |
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b11049ba1a
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CMake: Use hip::host and hip::hipcub targets
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2023-03-05 19:03:38 -07:00 |
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03916a3c28
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Update Kokkos CMake
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2023-03-03 09:32:53 -07:00 |
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2ccfe635ce
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Removed the outdated CUDA_PROXY flag, using CUDA_MPS_SUPPORT consistently in CMake and traditional builds
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2023-03-01 16:38:50 -06:00 |
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2511872823
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Updated GPU.cmake and Makefile.cuda_mps to not error out with exclusive process mode with the CUDA MPS server in use
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2023-02-28 00:41:47 -06:00 |
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d63d918dc5
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correct logic
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2023-02-06 23:59:24 -05:00 |
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