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# System prepended metadata

title: MultiXscale General/Common Meeting

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# MultiXscale General/Common Meeting
## Present
* Alan O'Cais (UB)
* Matej
* Godehard
* Eli
* Rodrigo
* Anirudh
* Bob
* Caspar
* Hassane
* Jean-Noel
* Matthieu
* Lara
* Matteo
* Pedro
* Richard
* Satish
* Thomas
* Enrico

## AGENDA

* Work between pairs
  * Lara – Tilen
    - Test-suite
	  - [#131](https://github.com/EESSI/test-suite/pull/131) Add LAMMPS tests to EESSI test-suite
	  - Feadback on sanity checks
	  - Also explored extra test that accompanies the new OBMD package
    - dev.eessi.io
	  - development of LAMMPS OBDM package send to lara
	  - public repo for development of OBDM package
		- https://github.com/laraPPr/lammps
	  - Once everything for dev.eessi.io is set up Tilen can push the code that he wants to test there. 
	  - Am testing the EESSI bot now from that repo to generate an easyconfig that will build lammps with a minimal number of packages and tests the new package
	  - [#1](https://github.com/laraPPr/lammps/pull/1) first dev of OBDM packages
    - No meetings since the first general discussion we had
    - communication via e-mail and slack
  * Xin – Hassane
    - Problem with OpenMPI integration in PyStencils
      - Resolved
    - Memory management
      - Unit tests for this
      - Some tools used to inspect this
    - Need to check additional functionality
      - GPU support
    - Will then add documentation and upload online
  * Satish – Jean-Noel
    - Mainly working with test suite
      - Milestone due next week
        - Benchmark on two architectures
        - Access to Deucalion (A64FX)
          - No direct CVMFS right now
          - Starting to do and deployments there
          - Should get it up there within the next few days
          - Memory very low per core (~700MB per core)
            - Can perhaps scale down but may lead to issues with accuracy
            - May need to reduce cores used per node
        - Fallback to RISC-V at BSC
          - Works at least on 1 node
          - Julian at BSC may be able to help
      - One PR already merged - P3M scenario
      - Another in the pipeline (ready for review) - LJ case
      - Some scalability issues, Jean-Noel working on these
      - numpy issue on Genoa, all others pass
        - Snellius, Hortense, Vega,...
    - 
  * Pedro/Bob – Matteo
    - Matteo working on theoretical side
    - Code is now available at https://github.com/multixscale/RR-BGK_SISM_waLBerla
      - Try to find the commit from their main repo
    - Good time to start looking at CI now 
    - Anirudh would like to connect with waLBerla regarding integrating things in PyStencils
      - Can reach out to CASTIEL2 to try to make a connection
  * Other requests from each group?
    - Jean-Noel, EESSI and getting specific builds of OpenMPI+CUDA available
      - Can use `EESSI-extend` module to help here and then override the used MPI library
      - Alan can help here, there is draft documentation on how to do the MPI override
* Additional deliverables
  * Due July 5
  * Co-design deliverable
    - reviewed by Thomas, Kenneth is reviewing now
    - Should add something specific on Kokkos for C++, Clang 19 and OpenMP offloading for Fortran (if anyone is using)
        - Mathieu has someone starting in Q3 who may be interested in Clang/Fortran
  * Technical concept for scalable coupling – draft
    - Some graphical input to still include
    - Another example for batteries required
    - Should we separate out the electrostatics part
      - Subsubsection might be enough, small reshuffle
    - Missing a section for Hassan's work, need to have a roadmap (to multi-CPU, multi-GPU)
* Deliverable 2.4
  * Ready for submission
* CECAM workshop – proposed date 8.4.2025 – 11.4.2025
  - Matej will do it, deadline is 10th of July
  - Will take place in Llublijana
  - Walter and Godehard are also organisers
    - Need to gather list of possible speakers
  - No hackathon in workshop, this will take place in December instead connected to SLING
  - Financial contributions - not strictly necessary, but welcome. Financial contribution will come from common SISSA/SLING node as part of CECAM Flagsip Program (but this node still does not currently exist)
    - Could have co-organisation, Juelich node could contribute
    - Can be mentioned in the text
* Other matters
  * Move OneDrive to UB?
    - Works for everyone as previously at USTUTT (online mode), but Rudolf cannot get offline access
    - Will talk to him today to see if we can resolve this, if not we may need to consider another option
    - Sciebo (via JSC) may be an option, but would need to work with someone at JSC to configure it.
  * Next General meeting – end of September
    - Need to send a doodle to find a date
