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
	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 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
	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
	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
	...
	Your session → please contact us!

Organizational hints

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

Complementing our session we also have the opportunity to attend further interesting NHR-internal sessions on the conference. In particular we recommend the following sessions:

Time	Title
Tue, 19.09., 10:30 am	Earth system sciences
Tue, 19.09., 10:30 am	Security
Tue, 19.09., 01:00 am	Administration, there is a pad to register (10 min) talks.
Tue, 19.09., 04:00 pm	Panel 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 pm	Resumée NHR
Wed, 20.09., 03:30 pm	Team Event