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7b3866d04c
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move lepton utilities to lepton_utils namespace in LEPTON package
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2022-12-24 00:08:03 -05:00 |
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132a4cbc91
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update traditional build for updated Lepton library and inclusion of asmjit
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2022-12-23 12:13:10 -05:00 |
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ae1dc7b52c
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Backport https://github.com/kokkos/kokkos/pull/5624 to Kokkos version bundled with LAMMPS
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2022-12-23 07:41:33 -07:00 |
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e59f99b440
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add support for JIT compilation
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2022-12-22 22:50:01 -05:00 |
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ca27fb3a98
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update Lepton to current master branch
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2022-12-22 22:47:45 -05:00 |
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25df28292f
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Update Kokkos library in LAMMPS to v3.7.1
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2022-12-22 09:20:35 -07:00 |
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33f3adf85c
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Merge branch 'develop' of github.com:lammps/lammps into kk_occupancy
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2022-12-22 09:18:24 -07:00 |
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2865929558
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update for added source
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2022-12-22 07:11:04 -05:00 |
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4cbe8b353b
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move shared functionality to utility function added to Lepton library
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2022-12-22 05:37:59 -05:00 |
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4293771ae8
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silence compiler warnings
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2022-12-21 21:53:25 -05:00 |
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e2f9d59484
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whitespace fixes
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2022-12-21 21:34:56 -05:00 |
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c44e87d87a
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avoid name conflict with COLVARS package
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2022-12-21 18:28:04 -05:00 |
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517a2e5e26
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import Lepton library with namespace and header changed to LMP_Lepton
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2022-12-21 14:18:39 -05:00 |
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8af77c690c
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Merge branch 'develop' into amoeba-gpu
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2022-12-14 13:16:41 -06:00 |
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e1d31a5633
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Merge branch 'develop' into pod-updates
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2022-11-30 13:47:40 -05:00 |
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9b7b45bdea
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update lib/linalg README
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2022-11-29 17:27:07 -05:00 |
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e7d72040e1
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update BLAS/LAPACK to version 3.11.0 from 22 Nov 2022
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2022-11-27 18:06:01 -05:00 |
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c366441c15
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add DPOTSV and DPOTRS LAPACK functions
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2022-11-27 18:05:54 -05:00 |
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d3bb55fa4f
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update BLAS/LAPACK to version 3.11.0 from 22 Nov 2022
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2022-11-27 17:24:05 -05:00 |
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5205e208a0
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add DPOTSV and DPOTRS LAPACK functions
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2022-11-27 17:18:23 -05:00 |
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a21a09f6d3
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Backport https://github.com/kokkos/kokkos/pull/5624 to Kokkos version bundled with LAMMPS
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2022-11-21 14:57:55 -07:00 |
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d75bf01b2d
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create Makefile for ML-POD
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2022-11-20 14:13:51 -05:00 |
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959b9c220f
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Cleaned up unused member functions and hd_balancer calls
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2022-11-07 15:49:37 -06:00 |
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a3cc0e8432
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Reverted the block size tuning, which caused bugs for low atom counts (will revisit later)
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2022-11-04 13:45:59 -05:00 |
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2f1f7ee0fa
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Cleaned up code
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2022-11-03 23:45:40 -05:00 |
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e5a808fb8d
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apply correct platform selection for OpenCL context
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2022-11-01 04:05:57 -04:00 |
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80a141d9c8
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silence compiler warnings
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2022-11-01 03:38:08 -04:00 |
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ca091b2e75
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update ELECTRODE package instructions for traditional make. fix plural/singular.
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2022-10-27 16:23:55 -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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ef83f78e1e
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add md5sums for plumed 2.7.5 and 2.8.1, update default version to 2.8.1
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2022-10-21 09:28:15 -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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ad54268544
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silence compiler warning
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2022-10-19 14:31:21 -04:00 |
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9d081a5916
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more adjustments for bogus timer results on Intel OpenCL
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2022-10-19 07:39:56 -04:00 |
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f867adc541
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GPU Package fix where timing disable could result in event/marker destruction before completion on accelerator during initialization.
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2022-10-19 02:16:29 -04:00 |
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51c6eddd0d
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Fix to make the property list empty for command queues when timing disabled.
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2022-10-19 02:15:39 -04:00 |
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fc8d9207c6
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update Makefile.lammps, too.
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2022-10-17 12:22:28 -04:00 |
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a981843686
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forgot updated Makefile
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2022-10-17 11:51:50 -04:00 |
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9f20347375
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update PACE library for conventional build
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2022-10-15 15:10:01 -04:00 |
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c113253e2d
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Merge branch 'develop' of https://github.com/lammps/lammps into kk_update_3.7
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2022-10-10 13:44:02 -07:00 |
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1fb07387b9
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Merge pull request #3479 from yury-lysogorskiy/feature/pace-al
BUGFIX: address issue with compilation KOKKOS + pace/extrapolation
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2022-10-10 14:57:13 -04:00 |
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341bb57555
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Update Install.py
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2022-10-10 08:45:33 -07:00 |
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7c9666798e
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whitespace
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2022-10-08 09:34:20 -04:00 |
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7551c0a3ca
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GPU Package: Documenting some additional preprocessor flags, updating oneapi Makefile.
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2022-10-07 22:44:21 -07:00 |
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00f46120c7
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Removed max_cus() from Device, used device->gpu->cus() instead
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2022-10-07 15:50:30 -05:00 |
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5a98a38e24
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GPU Package: Switching to parallel GPU initialization / JIT compilation.
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2022-10-07 13:25:14 -07:00 |
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f715f174bb
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GPU Package: Print OCL platform name to screen when multiple platforms
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2022-10-06 21:40:42 -07:00 |
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a6a39d47e1
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Fixing potential issues with automatic splitting of accelerators for NUMA.
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2022-10-06 20:48:02 -07:00 |
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e9f39f85d2
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Fixing issue where shared main memory property only set for NVIDIA devices.
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2022-10-06 20:05:33 -07:00 |
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6b9e83fe20
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Added timing for the induced dipole spreading part, computed the block size to ensure all the CUs are occupied by the fphi_uind and fphi_mpole kernels
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2022-10-06 15:03:58 -05:00 |
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