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441279d935
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don't use custom debug library postfix for libOpenCL.a
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2021-02-25 10:30:39 -05:00 |
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7d1670d91c
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cuda 11.0 does not support sm_86, it was added in 11.1
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2021-02-23 14:23:54 -05:00 |
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ce4dc4e2c6
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Merge pull request #2617 from akohlmey/build-opencl-loader
Build and link a static OpenCL ICD loader library by default instead of system OpenCL lib
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2021-02-22 13:37:17 -05:00 |
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4786391fad
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must explicitly register fix gpu
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2021-02-21 20:40:11 -05:00 |
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e0e89c588b
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correct library prefix name use also for building libyaml
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2021-02-21 17:11:38 -05:00 |
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db95552f2b
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update md5sum for updated archive (again)
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2021-02-21 16:42:30 -05:00 |
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1a68d761a3
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correct how to construct the path to the generated OpenCL lib
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2021-02-21 16:21:45 -05:00 |
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06f6766ed6
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CMAKE_FIND_LIBRARY_PREFIXES is a path. must use plain "lib" instead, but there is a variable for the suffix
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2021-02-21 16:20:36 -05:00 |
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0c6671ad64
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do not always add styles that depend on other packages
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2021-02-21 11:06:58 -05:00 |
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70327861b2
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update for improved OpenCL stub driver with tests
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2021-02-21 09:43:56 -05:00 |
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d025b281cf
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Build and link a static OpenCL loader library for all platforms
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2021-02-21 01:28:44 -05:00 |
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53fdaa5741
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Merge pull request #2603 from wmbrownIntel/gpu-updateFeb2021
GPU Package Update February 2021
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2021-02-17 19:04:55 -05:00 |
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61585b1eb6
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make MPI STUBS a C++ library so its symbols won't collide when loading a real MPI library
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2021-02-17 15:02:02 -05:00 |
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b37ae4aea6
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propagate PIP_OPTIONS change to CMake doc build module
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2021-02-16 12:26:59 -05:00 |
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775446b60f
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Add GERYON_NUMA_FISSION define in CMake
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2021-02-16 15:03:17 -05:00 |
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d85a5e3290
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Remove OCL_TUNE option in CMake
The GPU package now auto-detects these settings.
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2021-02-16 14:57:10 -05:00 |
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224da33b22
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Add missing fix_nh_gpu files to CMake build
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2021-02-16 12:29:50 -05:00 |
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515da32215
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Fixup errors/issues in cmake/Modules/Packages/KIM.cmake
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2021-02-15 16:00:47 -06:00 |
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11341a5b66
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enforce documented Python version requirement for MLIAP with Python
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2021-02-10 08:57:14 -05:00 |
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06e484d3e0
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make flags for supporting GPU archs consistent, add ampere consumer GPU arch
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2021-02-07 15:30:55 -05:00 |
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fc8b8d8825
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disallow use of CUDPP with CUDA multiprocessor server
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2021-02-05 16:44:26 -05:00 |
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af9b796855
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Update Kokkos version in KOKKOS.cmake
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2021-01-25 13:31:01 -07:00 |
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6dfa138037
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Update Kokkos version in CMake
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2021-01-22 21:08:15 -07:00 |
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14aac4d348
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Merge branch 'master' of github.com:lammps/lammps into kk_update_3.3.0
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2021-01-22 21:01:58 -07:00 |
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4758e43a2e
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add support for setting -DLMP_GPU when the GPU package is installed
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2021-01-11 10:18:09 -05:00 |
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e5d2ca99d8
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Merge branch 'master' of https://github.com/lammps/lammps into kk_update_3.3.0
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2021-01-08 11:11:22 -07:00 |
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f2bdd4654e
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Update from master
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2021-01-06 08:15:37 -07:00 |
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fec52f6a48
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make CMake script formatting more consistent
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2020-12-29 10:40:39 -05:00 |
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427d037747
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Merge pull request #2508 from athomps/mliappy3
Add support for Python based models to the MLIAP package
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2020-12-29 09:59:43 -05:00 |
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78a20a988e
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add support for plumed version 2.7.0 and make it default
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2020-12-23 14:23:39 -05:00 |
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e25e32c14e
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enabling KOKKOS requires raising the required C++ standard to C++14
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2020-12-23 10:43:55 -05:00 |
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0c54f07e71
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Update CMake Kokkos version
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2020-12-22 09:06:05 -07:00 |
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4c7f71bef3
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Merge branch 'master' into mliappy3
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2020-12-18 09:16:44 -05:00 |
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47d18c9f90
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Add KIM_EXTRA_UNITTESTS option
Add KIM_EXTRA_UNITTESTS option which defaults to OFF
and can be enabled on request to add a corresponding
pre-processor define to do extra tests.
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2020-12-15 15:48:49 -06:00 |
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7f29c56c8f
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update for kim-api-2.2.1
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2020-12-14 00:03:59 -06:00 |
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cc222791a5
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use variables to infer filenames from original .pyx source
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2020-12-09 10:47:06 -05:00 |
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ddcd5a3c2e
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small CMake tweaks and cleanups
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2020-12-09 10:28:12 -05:00 |
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c4ee2f2e42
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don't need Python interpreter for compiling the PYTHON package
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2020-12-08 00:28:16 -05:00 |
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5b6b327a5d
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fix CMake errors
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2020-12-08 00:04:54 -05:00 |
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280c19cf32
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rename CMake configuation variable to MLIAP_ENABLE_PYTHON to be more consistent with other packages
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2020-12-07 17:46:54 -05:00 |
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3f5a896aab
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update build system to make it auto-adapt to include python support or not into MLIAP
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2020-12-07 17:35:10 -05:00 |
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3c34bdfded
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Updated the build files
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2020-12-03 19:04:53 -07:00 |
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664ed0f850
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Merge remote-tracking branch 'origin/mliappy2' into mliappy3
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2020-12-03 17:37:26 -07:00 |
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369197fd5e
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Update KOKKOS.cmake
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2020-11-30 10:55:40 -07:00 |
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35f2c9bdf2
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Several improvements to capabilities and build.
- cmake fixed, no longer needs numpy headers.
- models can be loaded from an external interepreter.
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2020-11-26 12:40:28 -07:00 |
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c247a4f709
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More adjustments
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2020-11-24 21:06:27 -06:00 |
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8faee10da5
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Hack to work with preinstalled kim-api-2.1.3
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2020-11-24 20:37:17 -06:00 |
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c3e012c70c
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KIM.cmake changes to support 2.1.3 kim-api too
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2020-11-23 16:53:25 -06:00 |
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0f3b0eabd3
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Adjust KIM.cmake to continue to work with kim-api < 2.2.0
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2020-11-23 16:42:58 -06:00 |
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7ec7430c6e
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Update KIM.cmake for kim-api-2.2.0
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2020-11-19 13:29:16 -06:00 |
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