NHR Conference 23 - Consulting

As a part of the internal program of the NHR Conference we offer a session Consulting in the NHR alliance. It is devoted to the joint community of colleagues at the NHR centers and to all compute centers at universities collaborating with NHR centers. Experiences, best practices, and ideas for improvements will be presented and discussed.

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

Computational Fluid Dynamics (Patrick Höhn, 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

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 or planned to be, software licences,
  • possible collaboration,
  • 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

Miscellaneous

• support work
• PR, workshops, courses, etc.

09:30 - 10:30 - Parallel breakout rooms

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 physics and/or chemistry
• software licenses
• performance engineering and research activities for physics/chemistry codes
• quantum computing activities

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

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

Your session → please contact us!

Location

Address

Zuse-Institut Berlin
Takustrasse 7
14195 Berlin-Dahlem

Travelling

Location map

Accommodation

Recommendations for finding hotels close to ZIB are available in the document “Hints for visitors” (PDF)