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91fc94fc1e
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Merge branch 'alphataubio-kokkos-fixes' of https://github.com/alphataubio/lammps-alphataubio into alphataubio-kokkos-fixes
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2024-10-01 02:31:56 -04:00 |
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9330ccf6f9
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punt to later
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2024-10-01 02:30:01 -04:00 |
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9daa1b715a
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Merge branch 'lammps:develop' into alphataubio-kokkos-fixes
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2024-10-01 02:13:26 -04:00 |
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9f33efc1b9
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resolve conflict
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2024-10-01 02:12:49 -04:00 |
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53914162a7
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rename log file to match expected naming scheme
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2024-10-01 00:24:40 -04:00 |
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5322b172bd
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Merge pull request #4331 from akohlmey/collected-small-changes
Collected small changes and fixes
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2024-10-01 00:22:11 -04:00 |
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b12aeb79b0
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Merge branch 'develop' into collected-small-changes
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2024-09-30 22:10:14 -04:00 |
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2749e091c7
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update nemd example so it is reproducible
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2024-09-30 22:10:00 -04:00 |
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1dad5db38c
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remove ineffectual workflow changes
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2024-09-30 21:46:16 -04:00 |
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75f86a68a7
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Merge pull request #4190 from alphataubio/kokkos-unit-testing
Improve Kokkos unit testing
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2024-09-30 19:50:08 -04:00 |
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c4b32f4b38
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remove debugging lines, screen.* are inside the subfolders downloaded from the runs
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2024-09-30 17:25:19 -05:00 |
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4c91dcff3f
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list artifacts subfolders
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2024-09-30 17:16:55 -05:00 |
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29e995f137
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keep debugging the artifacts downloaded
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2024-09-30 17:09:28 -05:00 |
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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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a5b94f0870
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more debugging to list all files inside the artifacts folder
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2024-09-30 16:46:34 -05:00 |
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cb72f19595
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temporarily put some debug lines in the workflow file
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2024-09-30 16:25:24 -05:00 |
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f5507c252d
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need to download the artifacts from cloud to the merge job
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2024-09-30 16:10:09 -05:00 |
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2fbfec0d11
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use zipgrep for the merged zip artifact
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2024-09-30 15:39:47 -05:00 |
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97920f9fc3
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try again with the github step summary
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2024-09-30 15:15:30 -05:00 |
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af2f9c06dc
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add #include "kokkos_few.h"
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2024-09-30 15:51:37 -04:00 |
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a199289e23
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cuda bugfix
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2024-09-30 15:47:06 -04:00 |
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b25e370e63
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some more fixes and rewording
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2024-09-30 15:42:34 -04:00 |
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a31f083bab
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update read_dump docs with respect to reading xyz style dump files
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2024-09-30 14:54:35 -04:00 |
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4cfc407605
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Merge branch 'develop' of github.com:lammps/lammps into kokkos-unit-testing
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2024-09-30 10:51:59 -06:00 |
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ec392d5613
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Remove failed attempts to create a job summary
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2024-09-30 10:56:49 -04:00 |
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3cefa5c9f1
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try another approach for creating job summaries
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2024-09-30 10:46:27 -04:00 |
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d5f630db6c
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Fix sign used for atom-style potential
A positive sign in front of the electric potential is consistent with
E = -grad(electric potential).
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2024-09-30 12:28:16 +01:00 |
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d86de2862b
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Make signs consistent with efield = -grad(phi)
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2024-09-30 12:10:33 +01:00 |
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c36e1a9c8e
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save current status to git
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2024-09-29 21:41:54 -04:00 |
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563525bd6b
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Created fix_pimdb_nvt; added virial estimator to bosonic_exchange.
Checked 3 bosons in harmonic trap: energy seems to be OK, but virial estimator != potential energy
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2024-09-29 16:45:56 +03:00 |
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d33ecd6bbf
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reorder ctip style
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2024-09-29 05:58:02 -06:00 |
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622e3ed4d2
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add notice after merge
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2024-09-28 17:35:12 -04:00 |
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2f53ea37e5
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try printing GitHub job summary style 3
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2024-09-28 13:31:56 -04:00 |
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c16759ffc3
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try printing GitHub job summary style 2
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2024-09-28 13:24:41 -04:00 |
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c1040ad9bb
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try printing GitHub job summary style 1
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2024-09-28 13:13:43 -04:00 |
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98834a3e27
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fix cut-n-paste error
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2024-09-27 20:06:27 -04:00 |
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8b899d60fe
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Clarifying scoping for iterators in compute rheo/kernel
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2024-09-27 15:32:54 -06:00 |
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ba071fe55a
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Merge branch 'develop' into small-patches
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2024-09-27 15:30:31 -06:00 |
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c0d7b9975e
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avoid using std::shared_ptr. use new/delete for MPI rank 0 instead
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2024-09-27 14:38:28 -04:00 |
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65cacc7ef4
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recreate log files for MS-MEAM due to changes to the code.
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2024-09-27 14:29:05 -04:00 |
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7276d5301b
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update unit test for change in MS-MEAM
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2024-09-27 14:18:18 -04:00 |
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51d104975a
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whitespace
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2024-09-27 13:59:18 -04:00 |
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0445936ac4
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Added one-line change to make meam/ms correct for L12 lattice
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2024-09-27 11:26:36 -06:00 |
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7ccb7876f6
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initialize *all* allocated iterms, even if we don't use them.
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2024-09-27 12:40:39 -04:00 |
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10e5f4270f
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Swapping srcmp to utils method
Co-authored-by: Axel Kohlmeyer <akohlmey@gmail.com>
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2024-09-26 20:36:17 -06:00 |
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13591dbdb0
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Changing pour insertion note box
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2024-09-26 20:02:47 -06:00 |
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94f5f3cfa5
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Fix compile issue with HIP
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2024-09-26 15:25:32 -07:00 |
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4436197081
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PAdding possible note to fix pour doc
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2024-09-26 16:14:57 -06:00 |
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4035c3561e
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Merge branch 'develop' into collected-small-changes
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2024-09-26 16:38:11 -04:00 |
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ec2fece8db
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Merge pull request #4322 from stanmoore1/kk_update_4.4.0
Update Kokkos library in LAMMPS to v4.4.1
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2024-09-26 16:29:31 -04:00 |
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