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organizers: Matthias Läuter (NHR@ZIB), Christian Köhler (NHR-NORD@Göttingen), and Robert Schade (PC2)

Schedule

time: Wednesday, 20.09.2023, 09.00 am - 10:30 am
location: Lecture Hall 1

Table of contents, session "Consulting in the NHR alliance"

Please send your wishes and proposals for extending the agenda to the organizers and/or just update this wiki page.

09:00-09:30

Joint part, Lecture Hall 1


Welcome and introduction round (NHR centers and consultants at universities)


Presentations on highlight topics:

  • communication ways, mailing lists (mailing lists, chats, etc)
  • NHR groups
    • training, AI webinar+Q&A
    • performance engineering, container
    • security, AAI, HPC consultant networks
    • ASC, Computational Physics Center
    • etc.
  • Zentralprojekte, NHR funding
  • JupyterHub in NHR

Miscellaneous

  • support work
  • PR, workshops, courses, etc.
09:30-10:30

Parallel breakout rooms


Computational Life Sciences (Matthias Läuter, Anita Ragyanszki, ZIB) in Lecture Hall 1

  • talks
    • Opening, Anita Ragyanszki
    • Agent-based simulation of trail formation, Felix Höfling
    • tbd, Marcus Weber
    • Life Sciences at NHR@Göttingen, Martin Leandro Paleico
    • Machine Learning Coarse-grain, Bottom-up, Protein Force Fields, Nicholas Charron
    • Understanding the Origins of Life using Machine Learning methods, Anita Ragyanszki
    • Life Sciences at ZIB, Matthias Läuter
  • session topics
    • local priorities and expertise,
    • expectations and future plans,
    • codes: software currently supported
on NHR system
    • or planned to be, software licences
expectations and future plans
    • ,
hot support topics
    • possible collaboration
plans
    • ,
    • keywords: biochemistry, biophysics, bioinformatics, molecular genetics, structural biology, atomistic simulations of biomolecules.

Digital Humanities (Johannes Biermann, GWDG)

  • introduction about possible HPC usage for digital humanities
  • Open discussion about items that digital humanities need on HPC
    • Training on how to use HPC and how to optimse their workflow for parallel computation 
    • GPUs
    • Specific GPUs for prepared language models 
    • Python environments
    • Singularity container
    • Courses on HPC with Jupyter notebooks
    • download of external data and shared directories

Physics/Chemistry (Robert Schade, PC2) in Seminar Room 4

  • Introduction of personnel with code/research areas
  • organization of support
  • activities in the context of the atomistic simulation center and center for computational physics
  • events/workshops/courses/symposia in the context of
the Atomistic Simulation Center (ASC) and Center for Computational Physics (CCCP)
  • get-together in ASC and CCCP
  • software licenses
  • PE/
    • physics and/or chemistry
    • software licenses
    • performance engineering and research activities for physics/chemistry codes
    QC
    • quantum computing activities

    Computational Fluid Dynamics (Patrick Höhn,

    GWDG)

    Uni Göttingen)

    • Introduction of participants with competences / research areas
    • Conferences, courses, activities in CFD related topics
    • Open discussion
      • Challenges in installation of simulation software
      • Apptainers for bringing own code
      • CFD on GPUs
      • Other support challenges

    ...

    Your session → please contact us! (Lächeln)

    Organizational hints

    The NHR-internal part of the conference agenda can be attended free of charge. In any case, a registration is required.

    ...

    TimeTitle
    Tue, 19.09., 10:30 amEarth system sciences
    Tue, 19.09., 10:30 amSecurity
    Tue, 19.09., 01:00 am

    Administration, there is a pad to register (10 min) talks.

    Tue, 19.09., 04:00 pmPanel Discussion: NHR for Scientists (User & Centers)

    Wed, 20.09., 11:00 am

    Vorstellung NHR-Zukunftsprojekte I

    Wed, 20.09., 01:00 pm

    Vorstellung NHR-Zukunftsprojekte II
    Wed, 20.09., 02:15 pmResumée NHR
    Wed, 20.09., 03:30 pmTeam Event

    Location

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    Zuse-Institut Berlin
    Takustrasse 7
    14195 Berlin-Dahlem

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    Travelling

    Location map

    Accommodation

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