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f4b8200bcc
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download plumed-2.9.3 by default now
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2025-01-21 10:39:08 -05:00 |
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38c3477d2f
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Merge pull request #4394 from rbberger/find-package-pace
ml-pace: allow linking to existing pace library
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2025-01-09 19:41:19 -05:00 |
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50bda6077c
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Merge pull request #4430 from akohlmey/update-linalg
Update linalg to version 1.4.2 corresponding to LAPACK 3.12.1
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2025-01-08 21:53:33 -05:00 |
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748046089c
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add another couple of dependent functions
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2025-01-08 16:32:56 -05:00 |
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f3425ebfbf
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add one more missing dependency
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2025-01-08 16:21:08 -05:00 |
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e7d9244184
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add missing dependency
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2025-01-08 16:14:28 -05:00 |
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8ec9f37611
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update linalg to version 1.4 corresponding to LAPACK 3.12.1
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2025-01-08 15:52:30 -05:00 |
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ec7be395ea
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ml-pace: update tag
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2025-01-08 11:48:34 -07:00 |
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c27ca94660
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Update Kokkos library in LAMMPS to v4.5.1
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2024-12-24 09:58:51 -07:00 |
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7f68aeb6d5
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Update Kokkos library in LAMMPS to v4.5.0
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2024-12-13 09:23:03 -07:00 |
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92f2a743ef
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Merge pull request #4375 from akohlmey/collected-small-changes
Collected small changes and updates
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2024-11-12 17:55:25 -05:00 |
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a1a2a54f72
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update linalg for ML-QUIP
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2024-11-09 04:14:11 -05:00 |
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a832a4a1c9
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fixed a bug with three_ilist when used with pair hybrid
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2024-11-05 16:38:06 -06:00 |
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b2e8648e6c
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enable deprecated APIs for HDF5
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2024-10-04 12:32:09 -04:00 |
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db4c6fbaaa
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restore changes from Kokkos upstream to support GFX1103 chips (Radeon 7xxM and 8xxM) with HIP
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2024-09-30 17:59:40 -04:00 |
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80832ce763
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Merge branch 'develop' of github.com:lammps/lammps into kk_update_4.4.0
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2024-09-23 16:14:12 -06:00 |
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e95de835c0
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Tweak build defaults
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2024-09-23 15:38:29 -06:00 |
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1ac9f0801c
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update build support for using LAPACK with RHEO instead of GSL
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2024-09-18 19:55:59 -04:00 |
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9f867b5f54
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add LAPACK functions for matrix inversion via Cholesky decomposition
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2024-09-18 19:13:37 -04:00 |
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487f7ade68
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Update Kokkos library in LAMMPS to v4.4.1
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2024-09-13 12:14:49 -06:00 |
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9525dae7b9
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Merge branch 'develop' into kk_update_4.4.0
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2024-09-11 13:35:32 -04:00 |
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a44955dd2e
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Update Kokkos library in LAMMPS to v4.4.0
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2024-09-11 09:20:36 -06:00 |
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b74ef238c9
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Merge branch 'develop' into collected-small-fixes
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2024-09-10 23:32:37 -04:00 |
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4a11b96635
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update with upstream
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2024-09-10 23:31:37 -04:00 |
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b16bb27184
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revert to using the max number of blocks on device for each pass, as the number of blocks (32767 or 65535) already saturates the number of SMs anyway
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2024-09-10 09:47:07 -05:00 |
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c63c88f8b6
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reduced the max number of blocks for each transpose
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2024-09-10 08:58:42 -05:00 |
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f398add7d5
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fixed the value of shift being the number of rows processed in each chunk (g2y_m * b2y)
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2024-09-10 00:36:13 -05:00 |
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23bdc5ddc2
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Allowed number of blocks greater than 65,535 for k_transpose
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2024-09-10 00:18:50 -05:00 |
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b09e88a179
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Merge pull request #4314 from akohlmey/collected-small-changes
Collected small changes and fixes
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2024-09-06 16:24:31 -04:00 |
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597c53756e
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update plumed library to version 2.9.2
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2024-09-03 22:33:39 -04:00 |
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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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a8447b419d
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fix bug causing memory corruption and clean up lmp_f2c.h header
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2024-08-18 21:34:15 -04:00 |
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133dee9ac1
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Update Colvars library to version 2024-06-04
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2024-08-06 01:07:43 +02:00 |
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208216ba3d
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Merge branch 'kokkos-amd-gfx1103-support' into collected-small-fixes
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2024-07-30 08:46:22 -04:00 |
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cb6e71b72f
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fix typo
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2024-07-30 08:46:01 -04:00 |
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41254b26c7
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backward compatibility not needed
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2024-07-29 17:01:34 -04:00 |
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e6a708d253
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add support for AMD Phoenix APUs with HIP
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2024-07-28 20:49:17 -04:00 |
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26aba2c314
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silence compiler warnings
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2024-07-28 11:49:27 -04:00 |
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5501f608f5
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fix out of bound memory access bug detected by hipcc
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2024-07-28 11:25:15 -04:00 |
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bae822fea7
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update Makefiles
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2024-07-19 15:23:49 +00:00 |
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1ed6e153b6
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Merge pull request #4214 from jtclemm/rheo
New multiphase fluids package
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2024-07-18 18:38:51 -04:00 |
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f94b078936
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use pkg-config instead of pkgconf consistently, since the latter comes with compatibility to the former
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2024-07-03 21:21:35 -04:00 |
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b6d11b5902
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document GSL dependency and provide build instructions for RHEO package
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2024-07-03 19:07:19 -04:00 |
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96d58bb03e
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automatically set include/libs flags for GSL, if pkg-config is available
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2024-07-03 18:32:42 -04:00 |
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e1232af867
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Missing flag and changing dependencies
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2024-07-03 16:12:17 -06:00 |
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ece17cf56f
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Adding rheo make support
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2024-07-03 15:30:33 -06:00 |
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778d11c79e
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Merge remote-tracking branch 'github/develop' into collected-small-changes
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2024-06-19 14:46:04 -04:00 |
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45508baee5
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major refactor for restart, data file handling. removal of dead code.
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2024-06-19 11:09:56 -04:00 |
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f4005e350a
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update fix plumed API version check and add reminder comments to build files
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2024-06-17 07:11:56 -04:00 |
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4be1b41aef
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class n func rename
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2024-06-17 10:03:06 +02:00 |
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