# EESSI test suite sync meetings

## Planning

- every 2 weeks on Thursday at 14:00 CE(S)T
- next meetings:
- Fri 3 May 2024 13:00 CEST
- Thu 23 May 2024 14:00
- Thu 13 June 2024 13:00 CEST
- THu 27 June 14:00 CEST (TO CONFIRM)
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## Meeting (2024-04-18)

attending: Sam, Satish, Xin, Lara, Kenneth

- ESPResSo test
- due June'24 (M18) for MultiXscale milestone 3
- two test cases available: Lennard-Jones + Ionic Liquid
- see also MultiXscale deliverable D2.1 (https://zenodo.org/records/8420223)
- Satish got Python scripts for both from Jean-Noël, and is looking into implementing those into EESSI test suite
- OpenFOAM test
- WIP by Satish
- based motorBike tutorial case used in EESSI demo (https://github.com/EESSI/eessi-demo/tree/main/OpenFOAM)
- setting `maxGlobalCells` needs to be done slightly differently
- out-of-memory error when actually using 200M as maxGlobalCells
- probably means that current demo script doesn't actually use 200M
- with 20M for maxGlobalCells, meshing takes ~1h
- segfault with actual run with 20M, probably due to memory requirements
- mehsing/running fine with 8M as maxGlobalCells
- now ready to start implementing this as a ReFrame test
- => would be good to document current conclusions in https://github.com/EESSI/test-suite/issues/3
- see also exaFOAM benchmarks => https://exafoam.eu/benchmarks
- contact: Martha @ BSC
- questions from Thomas & Richard on running test suite
- regarding threads & slots, see EESSI Slack
- see https://github.com/NorESSI/software-layer/pull/317/commits/12549214df2aabb68bc58ab438f802883efd1c09
- => should ask Thomas to open an issue with more info on trouble with TensorFlow & threads
- Richard also has a bunch of questions on using the test suite
- => ask Richard to join future test suite meeting to better understand what he's doing and how we can improve docs?
- open PRs
- LAMMPS (https://github.com/EESSI/test-suite/pull/131)
- working on CPU/GPU now, ready for review/test
- need to figure out how to change the option based on whether it's a Kokkos/GPU or GPU-only build of LAMMPS
- for now, hardcoded for Kokkos/GPU
- Tilen (MultiXscale) is using 'pure' GPU build of LAMMPS
- code can be restructured so there's less duplication:

        class EESSI_LAMMPS_base(rf.RunOnlyRegressionTest):
            # common stuff goes here

        @rfm.simple_test
        class EESSI_LAMMPS_lj(EESSI_LAMMPS_base):

            sourcesdir = 'src/lj'
            executable = 'lmp -in in.lj'

            @run_after('setup')
            def set_executable_opts(self):
                ...

        @rfm.simple_test
        class EESSI_LAMMPS_rhodo(EESSI_LAMMPS_base):

            sourcesdir = 'src/rhodo'
            readonly_files = ["data.rhodo"]
            executable = 'lmp -in in.rhodo'

            @run_after('setup')
            def set_executable_opts(self):
                ...

- `set_omp_num_threads` could become a hook, also used for CP2K test
- QuantumESPRESSO (https://github.com/EESSI/test-suite/pull/128)
- => depends on base test which got merged into ReFrame hpctestlib, which is not in a ReFrame release yet...
- on hold, for now?
- maybe Sam can take a look
- CP2K
- implement + adopt hook for `set_omp_num_threads`
- review/test by Lara
- PyTorch (Caspar, on hold)
- other
- would be nice to have a download mechanism for (large) input file (https://github.com/EESSI/test-suite/issues/135)

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## Previous meetings

- https://github.com/EESSI/meetings/wiki/Sync-meeting-on-EESSI-test-suite-(2024-03-28)
- https://github.com/EESSI/meetings/wiki/Sync-meeting-on-EESSI-test-suite-(2024-03-14)
- https://github.com/EESSI/meetings/wiki/Sync-meeting-on-EESSI-test-suite-(2024-02-29)
- https://github.com/EESSI/meetings/wiki/Sync-meeting-on-EESSI-test-suite-(2024-02-15)
- https://github.com/EESSI/meetings/wiki/Sync-meeting-on-EESSI-test-suite-(2024-02-01)
- https://github.com/EESSI/meetings/wiki/Sync-meeting-on-EESSI-test-suite-(2024-01-18)
- https://github.com/EESSI/meetings/wiki/Sync-meeting-on-EESSI-test-suite-(2023-12-06)
- https://github.com/EESSI/meetings/wiki/Sync-meeting-on-EESSI-test-suite-(2023-11-22)
- https://github.com/EESSI/meetings/wiki/Sync-meeting-on-EESSI-test-suite-(2023-11-08)
- https://github.com/EESSI/meetings/wiki/Sync-meeting-on-EESSI-test-suite-(2023-10-19)
- https://github.com/EESSI/meetings/wiki/Sync-meeting-on-EESSI-test-suite-(2023-10-04)
- https://github.com/EESSI/meetings/wiki/Sync-meeting-on-EESSI-test-suite-(2023-09-20)
- https://github.com/EESSI/meetings/wiki/Sync-meeting-on-EESSI-test-suite-(2023-09-06)
- https://github.com/EESSI/meetings/wiki/Sync-meeting-on-EESSI-test-suite-(2023-08-25)
- https://github.com/EESSI/meetings/wiki/Sync-meeting-on-EESSI-test-suite-(2023-08-09)
- https://github.com/EESSI/meetings/wiki/Sync-meeting-on-software-testing-(27%E2%80%9007%E2%80%902023)
- https://github.com/EESSI/meetings/wiki/Sync-meeting-on-EESSI-test-suite-(2023-06-28)
- https://github.com/EESSI/meetings/wiki/Sync-meeting-on-EESSI-test-suite-(2023-06-15)
- https://github.com/EESSI/meetings/wiki/Sync-meeting-on-EESSI-test-suite-(2023-05-31)
- https://github.com/EESSI/meetings/wiki/Sync-meeting-on-EESSI-test-suite-(2023-05-17)
- https://github.com/EESSI/meetings/wiki/Sync-meeting-on-EESSI-test-suite-(2023-04-20)
- https://github.com/EESSI/meetings/wiki/Sync-meeting-on-EESSI-test-suite-(2023-03-30)
- https://github.com/EESSI/meetings/wiki/Sync-meeting-on-EESSI-test-suite-(2023-03-10) (incl. 2023-02-23)
- https://github.com/EESSI/meetings/wiki/Sync-meeting-on-EESSI-test-suite-(2023-02-09)