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27954609b8
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Disallow newton on with full neigh list
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2024-10-04 15:25:38 -06:00 |
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56ae7e465e
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Merge branch 'develop' of https://github.com/lammps/lammps into aurora_updates
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2024-08-31 11:33:51 -05:00 |
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7a9f0cd60d
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Fix potential overflow in Kokkos neighbor counting
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2024-08-29 14:40:50 -06:00 |
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af560356fe
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Merge branch 'develop' of https://github.com/lammps/lammps into aurora_updates
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2024-08-29 12:50:17 -05:00 |
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cc1e0ac9c5
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replace atoi() with std::stoi()
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2024-07-30 21:50:44 -04:00 |
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884b9dd9bd
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add PALS env var
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2024-07-19 15:34:02 +00:00 |
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52aefdd117
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Add Kokkos package option to build atom map in serial on CPU
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2024-02-14 16:42:45 -07:00 |
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db45c23d69
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silence compiler warnings
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2024-01-10 11:52:09 -05:00 |
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782ca9e0ff
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Thread over neighbors in addition to atoms when using a half neighbor list
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2023-12-01 14:46:30 -07:00 |
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35103df86b
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make compatible with Kokkos 3.7
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2023-11-23 14:25:30 -05:00 |
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742a772767
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report Kokkos library version and OpenMP standard version
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2023-11-23 00:24:34 -05:00 |
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beea2a6ee1
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Merge branch 'develop' into collected-small-fixes
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2023-11-10 10:57:08 -05:00 |
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c5c816e360
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Add another check
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2023-10-28 20:14:53 -06:00 |
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6c3206f2f6
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Tweaks
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2023-10-27 15:41:21 -06:00 |
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e7fc2923a5
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whitespace
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2023-10-27 14:59:51 -06:00 |
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0ab6870402
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Need to include MPI header
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2023-10-27 10:31:24 -06:00 |
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16dd61ca5f
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Remove redundant compile-time checks
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2023-10-27 09:48:26 -06:00 |
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b1ffb70f7d
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Logic tweak
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2023-10-26 17:20:33 -06:00 |
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bd0c1795b4
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Fix harmless compiler warnings
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2023-10-24 10:33:55 -06:00 |
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791f7d1d88
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Add dynamic check for CUDA
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2023-10-18 22:14:42 +03:00 |
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bd1794f142
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Remove debug output
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2023-10-17 12:59:10 -06:00 |
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672905bbf0
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Merge branch 'develop' of github.com:lammps/lammps into kk-ompi-rocm
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2023-10-17 12:57:11 -06:00 |
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ff23da1c97
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Switch order
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2023-10-03 10:28:08 -06:00 |
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367d0ac905
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Add support for FLUX
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2023-10-03 10:07:52 -06:00 |
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af76ffdfda
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ROCM aware OpenMPI support
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2023-06-18 17:08:49 +03:00 |
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5cb3d15ada
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Add Kokkos support for atom sorting on device
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2023-04-19 12:47:38 -06:00 |
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96e94c74da
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Merge branch 'develop' of https://github.com/lammps/lammps into kk_overlap
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2023-02-02 13:34:28 -07:00 |
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c0c5c34290
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Disable Kokkos GPU <--> CPU overlap when using pair hybrid with non-Kokkos styles
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2023-02-01 16:13:09 -07:00 |
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34e8a74989
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apply changes suggested by clang-tidy
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2023-01-27 11:49:43 -05:00 |
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9099f7b7a5
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Use minimal scope for args
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2022-12-23 11:09:03 -07:00 |
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3137122476
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remove kokkos numa option and its documentation
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2022-12-21 12:31:32 -05:00 |
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8b22b22203
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remove conditional compatibility code for pre-3.7 Kokkos versions
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2022-12-21 12:28:49 -05:00 |
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e137240909
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Fix init arguments fnd some join stuff for Kokkos 4
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2022-12-16 12:36:11 -07:00 |
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e0181e8c46
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refactor handling of pair/only flag for GPU and KOKKOS
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2022-10-28 16:38:11 -04:00 |
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e2f263b827
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protect against division by zero
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2022-10-27 17:04:10 -04:00 |
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248b7383c7
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Merge remote-tracking branch 'github/develop' into collected-small-changes
# Conflicts:
# src/DIPOLE/pair_lj_cut_dipole_long.h
# src/OPENMP/fix_nvt_sllod_omp.h
# src/PHONON/fix_phonon.h
# src/SPIN/pair_spin_dipole_cut.h
# src/SPIN/pair_spin_dipole_long.h
# src/STUBS/mpi.h
# src/UEF/fix_nh_uef.h
# src/fix_nvt_sllod.h
# tools/coding_standard/homepage.py
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2022-10-24 15:50:50 -04:00 |
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2132b1d904
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update developer reference text
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2022-10-24 11:08:26 -04:00 |
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b939ea55f6
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allow -kokkos on g 0 without GPU support, report GPUs only if ngpu > 0
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2022-10-24 05:05:49 -04:00 |
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cccf3f6f78
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change email for contacting LAMMPS developers, add to homepage checker
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2022-10-20 20:36:03 -04:00 |
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247a2b12b3
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use utils::inumeric() instead of atoi() (not for parsing environment variables yet)
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2022-08-09 14:30:44 -04:00 |
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d5170a1703
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one more env var for local rank
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2022-08-09 17:35:22 +00:00 |
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e583f54ca7
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fix off-by-one bug
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2022-07-27 19:12:36 -04:00 |
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ae7215037d
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Finish porting pair MEAM to Kokkos
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2022-07-01 11:20:51 -06:00 |
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940e88d2ca
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more clang-tidy fixes
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2022-05-13 21:12:48 -04:00 |
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6dae6198a2
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Add neigh transpose as Kokkos package option
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2022-03-25 09:17:39 -07:00 |
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d4bbb31270
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Improve error check
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2022-02-15 16:04:23 -07:00 |
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d9e06e326a
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Merge branch 'develop' of github.com:lammps/lammps into kk_error
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2022-02-15 12:11:52 -07:00 |
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c2d59d5d5e
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Add error if using multiple threads with Kokkos Serial backend
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2022-02-15 11:52:59 -07:00 |
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c6a17b900e
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just call exit() on windows instead forwarding the SEGV signal
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2022-02-03 13:31:24 -05:00 |
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222063e5cf
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Add preliminary support for Kokkos OpenMPTarget backend
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2021-10-15 17:32:37 -06:00 |
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