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Commit Graph

128 Commits

Author SHA1 Message Date
Stan Moore
a4f7c7e4c5 Update CMake for KOKKOS package 2025-03-31 12:29:08 -06:00
Stan Moore
9cb67de38f Merge branch 'develop' of github.com:lammps/lammps into kk_bug_fixes 2025-01-20 15:50:48 -07:00
Stan Moore
e31ca3c9c5 Update CMake 2024-12-24 10:35:05 -07:00
Stan Moore
9e3f7e55ee Update build systems for Kokkos v4.5.0 2024-12-13 09:32:45 -07:00
Axel Kohlmeyer
c2b6ce5786 remove src/KOKKOS/group_kokkos.cpp 2024-12-04 18:02:44 -05:00
alphataubio
1f61c42745 add GroupKokkos 2024-10-05 16:40:10 -04:00
Stan Moore
e95de835c0 Tweak build defaults 2024-09-23 15:38:29 -06:00
Stan Moore
5075c7cfa1 Update CMake 2024-09-13 12:16:58 -06:00
Axel Kohlmeyer
5699e3c8cf add overridable settings 2024-09-12 17:34:12 -04:00
Stan Moore
dc15e4ae81 Enforce options in CMake 2024-09-12 10:50:19 -06:00
Stan Moore
64db592a84 Update Kokkos version in CMake 2024-09-11 09:45:21 -06:00
Axel Kohlmeyer
842896040d Merge branch 'develop' into aurora_updates, resolve merge conflicts 2024-09-06 11:20:29 -04:00
Richard Berger
37e6f3ef21 kspace: add NVPL FFT support 2024-09-04 12:00:31 -06:00
Chris Knight
42b6c0f62c enable cmake support 2024-09-03 20:10:29 +00:00
Stan Gerald Moore
3805a01448 Update CMake 2024-05-15 14:42:01 -06:00
Stan Gerald Moore
1b71576b6f Update CMake and docs 2024-04-05 09:09:44 -06:00
Stan Gerald Moore
8d4a384f34 Improve cuFFT detection in CMake, similar to HIP 2024-03-18 09:28:53 -06:00
Stan Gerald Moore
6dcfcc1a83 Update CMake 2024-03-06 17:57:10 -07:00
Axel Kohlmeyer
5de6853684 fix typo 2024-02-23 16:05:30 -05:00
Axel Kohlmeyer
325a7d99d6 error out when cuFFT is not found 2024-02-22 07:47:37 -05:00
Axel Kohlmeyer
e143bbb4dd use a more "CMake" way to link to cuFFT with check in CMake config run 2024-02-21 10:49:31 -05:00
Axel Kohlmeyer
9d68b0ecc5 Merge branch 'develop' into issue3775_fft_kokkos 2024-01-25 09:03:52 -05:00
Axel Kohlmeyer
43642a6040 Kokkos 4 checks for compatible compilers so this is no longer needed. 2024-01-05 02:51:41 -05:00
Nick Hagerty
dd1ac640ae Added declaration for FFT_KOKKOS variable 2023-12-18 12:56:30 -05:00
Nick Hagerty
c45183d45c Updated CMake build system to allow for FFT_KOKKOS parameter. Updated CMakeLists.txt to print the correct value when summarizing. 2023-12-14 15:38:45 -05:00
Stan Gerald Moore
6b822c1d0e Update CMake 2023-11-21 15:13:56 -07:00
Axel Kohlmeyer
2305c4cb30 Merge branch 'develop' into cmake-3.16 2023-08-03 17:39:15 -04:00
Stan Gerald Moore
78470febbd Merge branch 'develop' of github.com:lammps/lammps into kk_update_4.0 2023-07-14 17:59:15 -06:00
Axel Kohlmeyer
5878040f26 skip undesired 'make install' targets from bundled Kokkos library 2023-07-01 18:44:57 -04:00
Axel Kohlmeyer
b50fc0be78 remove obsolete CONFIGURE_DEPENDS backward compatibility hack 2023-06-30 23:19:53 -04:00
Stan Gerald Moore
7c9b7eecf3 Update CMake 2023-06-29 10:48:35 -06:00
Stan Gerald Moore
e1573a11a6 Update CMake 2023-06-05 15:07:07 -06:00
Stan Gerald Moore
39eaab5278 Merge branch 'kk_update_3.7.2' of github.com:stanmoore1/lammps into kk_update_4.0 2023-06-05 11:05:26 -06:00
Stan Gerald Moore
2e09ba2702 Update CMake 2023-06-05 10:08:20 -06:00
Stan Gerald Moore
f138117ecf Merge branch 'develop' of github.com:lammps/lammps into kk_update_4.0 2023-04-18 12:36:08 -06:00
Stan Moore
9a1250a9d7 Merge branch 'develop' of https://github.com/lammps/lammps into granular-kokkos 2023-04-10 12:46:13 -06:00
Richard Berger
317c7761d4 cmake: Skip OpenMP version check for (AMD)Clang 2023-04-07 00:18:55 -06:00
Richard Berger
4e8038a4f5 Add DetectHIPInstallation.cmake 
Extending CMAKE_PREFIX_PATH is needed in both GPU and KOKKOS package to
make HIP CMake available.
 2023-04-06 23:17:23 -06:00
Richard Berger
ebb8eee941 cmake: use find_package for hipfft dependency 2023-04-06 21:12:25 -06:00
Stan Gerald Moore
1991332887 Merge branch 'develop' of github.com:lammps/lammps into kk_update_4.0 2023-03-24 09:17:32 -06:00
Axel Kohlmeyer
f1b0e911e1 support using old fix wall/gran files with KOKKOS in CMake 2023-03-23 17:56:26 -04:00
Axel Kohlmeyer
21b2bf0253 avoid including accelerator_kokkos.h in main.cpp 2023-03-06 22:17:12 -05:00
Stan Gerald Moore
03916a3c28 Update Kokkos CMake 2023-03-03 09:32:53 -07:00
Axel Kohlmeyer
5d16bea899 implement download fallback URLs pointing to download.lammps.org for CMake 2023-01-31 16:35:06 -05:00
Matt Bettencourt
0e1e8161ef Developed MLIAP-KOKKOS version of the Unified model/descriptor 2023-01-23 18:01:26 +01:00
Stan Gerald Moore
13d4344999 Merge branch 'develop' of github.com:lammps/lammps into kk_occupancy 2023-01-20 07:32:46 -07:00
Axel Kohlmeyer
3036f8d4c6 Conditionally support the CONFIGURE_DEPENDS flag for globbing of CMake 3.12 and later. 
# Conflicts:
#	cmake/Modules/Packages/COLVARS.cmake
 2023-01-06 22:18:50 -05:00
Axel Kohlmeyer
21d42336e2 massively simplify CMake code for using ML-IAP Python wrappers with KOKKOS 2023-01-03 20:53:14 -05:00
Matt Bettencourt
d47acfc0c4 Have PyTorch interface for MLIAP working in Kokkos. This uses cuPy and a simple example is provided 2022-12-28 07:01:47 +01:00
Stan Gerald Moore
adb27c6e3c Update CMake 2022-12-23 08:56:00 -07:00