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Fix stepWork.useGpuXHalo on search steps
[alexxy/gromacs.git]
/
admin
/
2021-09-22
Gaurav Garg
Add heffte package in gcc-7-cuda-11.0 container
tree
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commitdiff
2021-09-20
Gaurav Garg
Change hpccm scripts to add heffte package
tree
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commitdiff
2021-09-14
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
tree
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commitdiff
2021-09-14
Paul Bauer
Reenable GPUs in CI
tree
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commitdiff
2021-09-14
Paul Bauer
Revert "Temporarily lift requirement to detect GPUs...
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commitdiff
2021-09-06
Mark Abraham
Use latest cmake for ASAN configuration
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commitdiff
2021-08-19
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
tree
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commitdiff
2021-08-17
Mark Abraham
Update GPU CI configuration
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commitdiff
2021-08-17
Andrey Alekseenko
Random cosmetic fixes
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commitdiff
2021-08-16
M. Eric Irrgang
Add `breathe` package to CI Python venvs.
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commitdiff
2021-08-16
Mark Abraham
Remove support for Python 3.6
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commitdiff
2021-08-16
Andrey Alekseenko
Update regular CI images to OneAPI 2021.3.0
tree
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commitdiff
2021-08-09
M. Eric Irrgang
Minor clean-up to sample_restraint tests.
tree
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commitdiff
2021-08-02
Mark Abraham
Update to support CUDA 11.4
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commitdiff
2021-06-30
Mark Abraham
Test with newer compilers in CI
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commitdiff
2021-06-29
M. Eric Irrgang
Test gmxapi and clients through Py 3.9.
tree
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commitdiff
2021-06-29
Paul Bauer
Merge branch release-2021 into master
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commitdiff
2021-06-25
M. Eric Irrgang
apply reviewer suggestions
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commitdiff
2021-06-25
M. Eric Irrgang
Don't run full CI when stages fail.
tree
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commitdiff
2021-06-24
Mark Abraham
Update hipSYCL CI container
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commitdiff
2021-06-22
Mark Abraham
Activate the existing 20.04 CI containers
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commitdiff
2021-06-17
Mark Abraham
Fixed docs build
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commitdiff
2021-06-16
Mark Abraham
Use 20.04 for docs build
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commitdiff
2021-06-15
Mark Abraham
Support testing CUDA-aware MPI in CI
tree
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commitdiff
2021-06-09
Andrey Alekseenko
Bump hipSYCL version in the CI container
tree
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commitdiff
2021-06-08
M. Eric Irrgang
Remove gmxapi roadmap.rst and acceptance tests.
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commitdiff
2021-06-08
Paul Bauer
Allow selection of rocm version to install
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commitdiff
2021-06-07
Mark Abraham
Update to Ubuntu 20.04 in CI
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commitdiff
2021-06-03
Mark Abraham
Update tested CUDA versions
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commitdiff
2021-06-02
Mark Abraham
Removed GMX_CLANG_CUDA build using old versions
tree
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commitdiff
2021-05-31
Andrey Alekseenko
Add nightly CI test on OneAPI + Intel GPU
tree
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commitdiff
2021-05-27
Paul Bauer
Disable CUDA clang-tidy test
tree
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commitdiff
2021-05-26
Paul Bauer
Fix clang tidy version for CUDA
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commitdiff
2021-05-24
Paul Bauer
Add CUDA clang tidy build to CI
tree
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commitdiff
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
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commitdiff
2021-05-07
Paul Bauer
Merge branch release-2021 into merge-2021-into-master
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commitdiff
2021-05-06
Paul Bauer
Use more modern clang for linters and sanitizers
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commitdiff
2021-05-05
Berk Hess
Convert t_oriresdata to C++
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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
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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
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commitdiff
2021-03-14
Kevin Boyd
Fix leak in cpp_opts
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commitdiff
2021-03-08
Paul Bauer
Fix copyright check
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commitdiff
2021-03-05
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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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
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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
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commitdiff
2021-02-05
Joe Jordan
Use raw strings instead of format in docker build script
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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
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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
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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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