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Remove dead members from gmx_pme_t
[alexxy/gromacs.git]
/
admin
/
2021-05-17
Mark Abraham
Refactor gmx_reverse_top_t
tree
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commitdiff
2021-05-10
Paul Bauer
Make clang-tidy check more aggressive
tree
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commitdiff
2021-05-07
Paul Bauer
Merge branch release-2021 into merge-2021-into-master
tree
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commitdiff
2021-05-06
Paul Bauer
Use more modern clang for linters and sanitizers
tree
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commitdiff
2021-05-05
Berk Hess
Convert t_oriresdata to C++
tree
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commitdiff
2021-05-05
Mark Abraham
Break up dd_init_bondeds
tree
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commitdiff
2021-05-04
Mark Abraham
Remove some use of charge groups from domdec
tree
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commitdiff
2021-05-03
Mark Abraham
Temporarily lift requirement to detect GPUs in CI
tree
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commitdiff
2021-04-30
Mark Abraham
Temporarily lift requirement to detect GPUs in CI
tree
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commitdiff
2021-04-19
Paul Bauer
Set matching number of ranks for OpenCL GPU tests
tree
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commitdiff
2021-04-10
Kevin Boyd
Clean up leaks
tree
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commitdiff
2021-03-29
Kevin Boyd
Remove unused LSAN suppressions
tree
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commitdiff
2021-03-22
Kevin Boyd
Clean up leaks in t_inputrec
tree
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commitdiff
2021-03-15
Paul Bauer
Add subcycle counting to MPI build
tree
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commitdiff
2021-03-14
Kevin Boyd
Fix leak in cpp_opts
tree
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commitdiff
2021-03-08
Paul Bauer
Fix copyright check
tree
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commitdiff
2021-03-05
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
tree
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commitdiff
2021-03-03
Paul Bauer
Check version names to be correct for release
tree
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commitdiff
2021-03-02
Andrey Alekseenko
Set up build with hipSYCL
tree
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commitdiff
2021-02-26
Paul Bauer
Add coverage build to post merge
tree
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commitdiff
2021-02-22
Paul Bauer
Remove raw pointer to gmx_reverse_top
tree
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commitdiff
2021-02-18
Andrey Alekseenko
Fix clang-8-cuda-10.0 container
tree
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commitdiff
2021-02-18
Paul Bauer
Update CMake requirement to 3.16.3
tree
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commitdiff
2021-02-16
Andrey Alekseenko
Add support for Clang-CUDA 11.x and a post-merge CI...
tree
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commitdiff
2021-02-16
Andrey Alekseenko
Add container with LLVM 11, CUDA 11.2.1, hipSYCL
tree
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commitdiff
2021-02-13
Paul Bauer
Fix release docs build
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commitdiff
2021-02-12
Sebastian Kehl
Fix leaked memory created in make_ljpme_c6grid.
tree
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commitdiff
2021-02-12
Mark Abraham
Merge branch release-2021 into master
tree
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commitdiff
2021-02-11
Paul Bauer
Prepare changes to docker images for python packages
tree
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commitdiff
2021-02-10
Paul Bauer
Fix llvm build in docker container
tree
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commitdiff
2021-02-08
Paul Bauer
Tag images on the branch as release-2021
tree
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commitdiff
2021-02-05
Joe Jordan
Use raw strings instead of format in docker build script
tree
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commitdiff
2021-02-03
Paul Bauer
Update llvm docker build
tree
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commitdiff
2021-02-03
Mark Abraham
Remove support for Intel classic compiler
tree
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commitdiff
2021-01-29
Mark Abraham
Merge branch release-2021
tree
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commitdiff
2021-01-28
Andrey Alekseenko
Reintroduce CI job descriptions
tree
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commitdiff
2021-01-27
Mark Abraham
Test python 3.9.1
tree
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commitdiff
2021-01-25
Andrey Alekseenko
Update self-documentation in admin/git-pre-commit
tree
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commitdiff
2021-01-11
Mark Abraham
Remove mdrun-only build configuration
tree
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commitdiff
2021-01-07
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
tree
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commitdiff
2021-01-07
Paul Bauer
Write copyright output files as utf8
tree
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commitdiff
2021-01-07
Paul Bauer
Fix nightly webpage upload
tree
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commitdiff
2020-12-18
Mark Abraham
Merge branch release-2021
tree
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commitdiff
2020-12-17
Mark Abraham
Update CI image to OneAPI 2021.1.1, add ICC tests.
tree
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commitdiff
2020-12-04
M. Eric Irrgang
Add CI jobs for gmxapi 0.3
tree
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commitdiff
2020-12-04
M. Eric Irrgang
Update rules for release-2021.
tree
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commitdiff
2020-12-04
M. Eric Irrgang
Separate job script files for gmxapi package versions.
tree
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commitdiff
2020-11-30
Paul Bauer
Add tests for newer GCC versions
tree
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commitdiff
2020-11-24
Paul Bauer
Merge branch 'origin/release-2021' into merge-2021...
tree
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commitdiff
2020-11-24
Paul Bauer
Merge branch 'origin/release-2020' into merge-2020...
tree
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commitdiff
2020-11-23
Paul Bauer
Fixes for Intel and container build fixes
tree
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commitdiff
2020-11-09
Paul Bauer
Use images from GitLab docker repository
tree
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commitdiff
2020-11-05
Paul Bauer
Merge branch 'origin/release-2021' into merge-2021...
tree
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commitdiff
2020-11-04
Alan Gray
Allow GPU update without GPU DD
tree
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commitdiff
2020-11-04
M. Eric Irrgang
Establish `api/` as the home for installed headers.
tree
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commitdiff
2020-11-03
Paul Bauer
Add Clang CUDA build to CI
tree
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commitdiff
2020-10-27
M. Eric Irrgang
Use the correct CI script for sample_restraint jobs.
tree
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commitdiff
2020-10-27
M. Eric Irrgang
Update image names in job definitions.
tree
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commitdiff
2020-10-27
Paul Bauer
Don't deploy nightly webpages
tree
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commitdiff
2020-10-23
M. Eric Irrgang
Update Docker image build scripts.
tree
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commitdiff
2020-10-23
Mark Abraham
Merge branch release-2021
tree
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commitdiff
2020-10-22
M. Eric Irrgang
Use updated CI pipeline rules for Python package tests.
tree
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commitdiff
2020-10-20
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
tree
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commitdiff
2020-10-20
Paul Bauer
Update CI rules for release-2021
tree
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commitdiff
2020-10-08
Andrey Alekseenko
Activate SYCL build on CI
tree
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commitdiff
2020-10-07
Mark Abraham
Update to oneAPI beta09
tree
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commitdiff
2020-10-07
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
tree
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commitdiff
2020-10-02
M. Eric Irrgang
Handle gmxapi tmpi parameters better.
tree
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commitdiff
2020-10-01
M. Eric Irrgang
Use updated images for Python CI jobs.
tree
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commitdiff
2020-10-01
Paul Bauer
Fix post merge acceptance pipeline for release-2020
tree
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commitdiff
2020-09-30
Paul Bauer
Update CI on 2020 branch
tree
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commitdiff
2020-09-30
M. Eric Irrgang
Specify OMP_NUM_THREADS for Pyhon CI scripts.
tree
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commitdiff
2020-09-29
Paul Bauer
Add post submit rules to CI
tree
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commitdiff
2020-09-25
Paul Bauer
Fix bad logic in regressiontest branch selection
tree
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commitdiff
2020-09-24
Paul Bauer
Allow deployment of nightly webpage to server
tree
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commitdiff
2020-09-23
Alan Gray
Add regression tests for gpucomm paths
tree
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commitdiff
2020-09-22
Paul Bauer
Make Oneapi use CCache again
tree
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commitdiff
2020-09-21
Paul Bauer
Fix script building all CI containers and add gcovr
tree
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commitdiff
2020-09-21
Paul Bauer
Add OpenSSH to docs build images
tree
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commitdiff
2020-09-17
Artem Zhmurov
Remove the CPU hardware context from the general list...
tree
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commitdiff
2020-09-16
Mark Abraham
Activate AMD OpenCL build in release matrix
tree
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commitdiff
2020-09-10
Paul Bauer
Minor fix to the printout for regtest builds
tree
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commitdiff
2020-08-31
Paul Bauer
Merge branch 'release-2020' into master
tree
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commitdiff
2020-08-20
Erik Lindahl
Enable CI testing of OpenAPI / OpenCL
tree
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commitdiff
2020-08-17
Mark Abraham
Allow simpler use of scripted container builds
tree
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commitdiff
2020-08-17
Mark Abraham
Restore use of CUDA 11.0 in CI
tree
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commitdiff
2020-08-17
Mark Abraham
Build fewer unnecessary SIMD kernels in CI
tree
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commitdiff
2020-08-17
Mark Abraham
Support oneAPI in gitlab CI
tree
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commitdiff
2020-08-17
Paul Bauer
Reduce artifact size
tree
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commitdiff
2020-08-17
Mark Abraham
Stopped using images in biophysics Docker repository
tree
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commitdiff
2020-08-17
Mark Abraham
Avoid builds with RelWithDebInfo
tree
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commitdiff
2020-08-12
Mark Abraham
Revert to CUDA 10 image for CI
tree
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commitdiff
2020-08-06
Mark Abraham
Update minimum tested CUDA to 11.0
tree
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commitdiff
2020-08-04
Erik Lindahl
Simplified uniform GPU selection in CMake
tree
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commitdiff
2020-08-03
M. Eric Irrgang
Use importlib_resources in Python 3.6 images.
tree
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commitdiff
2020-07-31
M. Eric Irrgang
Normalize docker image names.
tree
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commitdiff
2020-07-31
Mark Abraham
Release configs were using a wrong build type
tree
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commitdiff
2020-07-31
Mark Abraham
Release configs were using a wrong build type
tree
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commitdiff
2020-07-29
Kevin Boyd
Fix undefined behavior flagged by UBSAN
tree
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commitdiff
2020-07-29
Artem Zhmurov
Revert c++-17 features that are not supported by CUDA...
tree
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commitdiff
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