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ARCHER2 Weekly Newsletter

By ARCHER2 Service on July 5, 2023

Tags: newsletters 

Python overhead: Reducing the burden

Online, Wednesday 5th July 2023 15:00 - 16:00 BST

Support queries involving Python are becoming more and more common in HPC. Python can feature within traditional HPC workflows and is particularly popular for machine learning tasks. However, those Python packages involved with inter-process communications (mpi4py) and low-level computation (pycuda/cupy) must be linked to code libraries built specifically for the host system. It is more convenient therefore to maintain such packages within a centralized location, and, at the same time, provide users with a straightforward way to access those packages from within their own local Python environments.

This talk explains how this can be accomplished and then proceeds through several use cases implemented on the two main HPC systems delivered by EPCC, namely ARCHER2 and Cirrus.

Details and join link

Change to default version of ONETEP on ARCHER2

The default version of ONETEP on ARCHER2 will be changed to a newer version onetep/6.1.43.0-CCE-LibSci on Mon 17 July 2023. The current default version is onetep/6.1.9.0-CCE-LibSci

If you wish to continue to use the older version after this change, you will need to change your job submission scripts to explicitly load the older version.

Scientific Computing in Rust 2023

The Scientific Computing in Rust 2023 workshop will take place on Thursday 13 July and Friday 14 July between 13:00 BST and 17:00 BST.

Not an ARCHER2 event but likely to be of interest to ARCHER2 users.

This workshop will be held virtually and is free to attend.

Full details

CompBioMed Conference 2023 and Student Visualisation Competition

September 12th-14th (Garching, Germany)

Not an ARCHER2 event but likely to be of interest to some ARCHER2 users.

The CompBioMed Conference 2023 addresses the rapidly burgeoning domain of computational biomedicine, from genome through organ to whole human and population levels, embracing data driven, mechanistic modelling and simulation, machine learning and combinations thereof.

Further information

Deadlines:

  • Abstract submission: July 31st
  • Student Visualisation competition submission: August 15th

ARCHER2 Publication Database:

The ARCHER2 service maintains a publication database of works that have arisen from ARCHER2 and links them to project IDs that have ARCHER2 access. We ask all users of ARCHER2 to register any publications in the database - all you need is your publication’s DOI.

Registering your publications in SAFE has a number of advantages:

  • For large projects in particular, it allows the project lead to collect publications from all the project members to assist with ResearchFish submissions
  • Your publication automatically gets added to the ARCHER2 publications page
  • Your publication is included in reports to UKRI
  • The better the record we have of publications arising from the ARCHER2 service, the easier it is to demonstrate the impacts and benefits of the service; allowing UKRI to secure funding for future national supercomputing services.

Further details and instructions on how to add publications

Recently added known issues

The “Known Issues” page of the ARCHER2 Documentation https://docs.archer2.ac.uk/known-issues/ lists all current open known issues including a description of the issue, its symptoms and any work-arounds.

  • No recent issues

Upcoming ARCHER2 Training

Further details of upcoming training

We always welcome researchers wishing to present their work in a webinar - please contact the Service Desk if you would be interested in presenting your work.

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Recordings of past courses

Recordings of past virtual tutorials