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Try to Compile LAMMPS with OBMD plugin in github action #3
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f89045d
Create MultiXscale:compile_lammps
laraPPr 2de4707
Update MultiXscale:compile_lammps
laraPPr 0a1165c
Update MultiXscale:compile_lammps
laraPPr a235b57
Update MultiXscale:compile_lammps
laraPPr 678a954
Create MultiXscale:compile_lammps.yml
laraPPr dc20da7
Delete .github/workflows/MultiXscale:compile_lammps
laraPPr 059bb0b
Add lammps config file
laraPPr fc1ceb8
Update LAMMPS_OBMD-foss-2023a-software-commit.eb
laraPPr d051c2a
Update MultiXscale:compile_lammps.yml
laraPPr 3378bf7
Update MultiXscale:compile_lammps.yml
laraPPr 2c3b325
Update MultiXscale:compile_lammps.yml
laraPPr 2f38dd0
Update MultiXscale:compile_lammps.yml
laraPPr 2055240
Update MultiXscale:compile_lammps.yml
laraPPr cb9f33e
Update MultiXscale:compile_lammps.yml
laraPPr a56a4aa
Update MultiXscale:compile_lammps.yml
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Update MultiXscale:compile_lammps.yml
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Update MultiXscale:compile_lammps.yml
laraPPr 2a1a308
Update MultiXscale:compile_lammps.yml
laraPPr d1dbff9
Update MultiXscale:compile_lammps.yml
laraPPr 9f0fe5d
Update MultiXscale:compile_lammps.yml
laraPPr cdf07bd
Update MultiXscale:compile_lammps.yml
laraPPr b4cf939
Update MultiXscale:compile_lammps.yml
laraPPr 569ad45
Update MultiXscale:compile_lammps.yml
laraPPr 99b30ef
Update MultiXscale:compile_lammps.yml
laraPPr f7a0c07
Update MultiXscale:compile_lammps.yml
laraPPr c5e8808
Update MultiXscale:compile_lammps.yml
laraPPr 284e25f
Update MultiXscale:compile_lammps.yml
laraPPr 3a1b572
Update MultiXscale:compile_lammps.yml
laraPPr 7ba78cc
Update .github/workflows/MultiXscale:compile_lammps.yml
laraPPr 9fa88fe
Update MultiXscale:compile_lammps.yml
laraPPr d3883ce
source repo and oversubscribe
laraPPr ccd6dca
make the easybuild log more verbose in stdout
laraPPr 02a0e81
use artifacts
laraPPr 6d9351c
Update MultiXscale:compile_lammps.yml
laraPPr 45b6b5d
try to use download artifacts
laraPPr e6c1655
add timestep patch to banlance example
laraPPr 8b96785
use $EESSI_SOFTWARE_SUBDIR
laraPPr fa6ebf5
use $EBROOTLAMMPS
laraPPr a6c54ec
remove downloading artefacts because is skipped when the run fails
laraPPr 8114130
Update .github/workflows/MultiXscale:compile_lammps.yml
laraPPr 02ade00
use new commit of easyblock
laraPPr 0c66e85
Update MultiXscale:compile_lammps.yml
laraPPr 9113983
Update MultiXscale:compile_lammps.yml
laraPPr 3005c84
Update MultiXscale:compile_lammps.yml
laraPPr c547cfd
Update MultiXscale:compile_lammps.yml
laraPPr e0c3a2b
Update MultiXscale:compile_lammps.yml
laraPPr c504cd9
Create MultiXscale:generate_patch_file.yml
laraPPr 22c0d42
Update MultiXscale:generate_patch_file.yml
laraPPr fe06b15
Update MultiXscale:generate_patch_file.yml
laraPPr f00e8d0
Update MultiXscale:generate_patch_file.yml
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Update MultiXscale:generate_patch_file.yml
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Update MultiXscale:generate_patch_file.yml
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Update MultiXscale:generate_patch_file.yml
laraPPr 1833ccc
Update MultiXscale:generate_patch_file.yml
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Update MultiXscale:generate_patch_file.yml
laraPPr 1f97b40
Update MultiXscale:generate_patch_file.yml
laraPPr 6843057
Update MultiXscale:generate_patch_file.yml
laraPPr 700a830
Update MultiXscale:generate_patch_file.yml
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Update MultiXscale:generate_patch_file.yml
laraPPr c5d5454
Update MultiXscale:generate_patch_file.yml
laraPPr 9160d44
Update MultiXscale:generate_patch_file.yml
laraPPr a479281
add patch file workflow to compile workflow and get easyconfig from m…
3baf875
copy patch file to directory where easybuild will find it
laraPPr 5d845f3
Update MultiXscale:compile_lammps.yml
laraPPr f56037c
Update MultiXscale:compile_lammps.yml
laraPPr e825320
update path to patch
laraPPr 4abdd3d
Use commit used in dev.eessi.io-example
laraPPr 327ea2d
Use the commit used in eessi.dev.io-example
laraPPr dfddef6
Use other lammps commit
laraPPr 164e36f
Update MultiXscale:compile_lammps.yml
laraPPr b8a22ca
Update MultiXscale:compile_lammps.yml
laraPPr 28b76c1
Use LAMMPS_COMMIT set variable in actions
laraPPr 626fe59
use two different variable for LAMMPS_COMMIT
laraPPr 1ea5019
Check env.LAMMPS_COMMIT_...
laraPPr 140cd4f
Find where the variable are stored
laraPPr b123954
Test environment variables
laraPPr 1ea797f
Change module name by using variable
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,54 @@ | ||
| name: MultiXscale-compile_lammps | ||
| run-name: Compile new Plugin OBMD | ||
| on: | ||
| push: | ||
| paths: | ||
| - '.github/**' | ||
| - 'src/OBMD/**' | ||
| - 'examples/OBMD/**' | ||
| jobs: | ||
| build: | ||
| runs-on: ${{ matrix.os }} | ||
| strategy: | ||
| matrix: | ||
| os: | ||
| - ubuntu-24.04-arm | ||
| - ubuntu-24.04 | ||
| steps: | ||
| - uses: actions/checkout@v4 | ||
| with: | ||
| repository: lammps/lammps | ||
| path: lammps_upstream | ||
| # Can change the LAMMPS commit which will be build by updating LAMMPS_COMMIT_PATCH https://github.com/laraPPr/lammps/settings/variables/actions | ||
| ref: ${{ vars.LAMMPS_COMMIT_PATCH }} | ||
| - uses: actions/checkout@v4 | ||
| with: | ||
| path: lammps_dev | ||
| - name: Generate patch file | ||
| continue-on-error: true | ||
| run: | | ||
| # make patch file | ||
| diff -ruN --exclude .* lammps_upstream lammps_dev > LAMMPS-2Aug2023_lammps_obmd_package.patch | ||
| - name: Check if patch file was generated | ||
| run: | | ||
| ls LAMMPS-2Aug2023_lammps_obmd_package.patch | ||
| cat LAMMPS-2Aug2023_lammps_obmd_package.patch | ||
| - uses: actions/checkout@v4 | ||
| with: | ||
| repository: multixscale/dev.eessi.io-lammps-plugin-obmd | ||
| path: multixscale_dev | ||
| - uses: eessi/github-action-eessi@v3 | ||
| - name: set up EasyBuild | ||
| run: | | ||
| pwd | ||
| mkdir -p multixscale_dev/easyconfigs/l/LAMMPS && cp LAMMPS-2Aug2023_lammps_obmd_package.patch multixscale_dev/easyconfigs/l/LAMMPS/. | ||
| module load EESSI-extend/2023.06-easybuild | ||
| eb --show-config | ||
| echo "Get EasyConfig" | ||
| # Can change the LAMMPS commit which will be build by updating LAMMPS_COMMIT_BUILD https://github.com/laraPPr/lammps/settings/variables/actions | ||
| eb multixscale_dev/easyconfigs/LAMMPS_OBMD-foss-2023a-software-commit.eb --software-commit ${{ vars.LAMMPS_COMMIT_BUILD }} --include-easyblocks-from-commit 3725813434972232adde2d84c882801fae629ddf | ||
| module avail LAMMPS | ||
| module load LAMMPS/${{ vars.LAMMPS_COMMIT_BUILD }}-foss-2023a-kokkos-dev_OBMD | ||
| echo $EBROOTLAMMPS | ||
| ls $EBROOTLAMMPS | ||
|
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Author
There was a problem hiding this comment. Choose a reason for hiding this commentThe reason will be displayed to describe this comment to others. Learn more. push logs to somewhere else after build when certain label is set? |
||
| mpirun -np 4 --oversubscribe lmp -in $EBROOTLAMMPS/examples/OBMD/in.OBMD | ||
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