HPC2N
High Performance Computing Center North
The online workshop is an introduction to the basic concepts of containerized software environment solution within the Singularity framework https://sylabs.io/singularity/.
This is a cooperation with UPPMAX.
During the workshop you will have the opportunity to follow the interactive guide on how to
UPPMAX and HPC2N are organising a joint ONLINE workshop on how to run Python codes and install additional Python packages on the computer resources provided by these two HPC centres. Participants are encouraged to bring their particular software request for discussion as well.
The goal for the course is that you will be able to:
In this course, we begin with a short introduction to the Linux operating system (OS) that is used on HPC2N's compute cluster, and is the most common OS in HPC clusters. This part is only meant for complete beginners to the Linux operating system, and can be omitted if you are proficient already. See the schedule.
Abstract: In this talk, Kristoffer Carlsson, developer at Julia Computing in Sweden, will talk about the Julia language with particular emphasis on performance in an HPC setting. Topics mentioned will be Julia's compilation pipeline, SIMD, parallelism (shared and distributed memory), among others.
This event is free and will be online. The talk will be recorded.
This workshop targets programmers in both academia and industry who already have experience with basic MPI and are ready to take the next step to more advanced usage. Topics which will be covered include communicators, groups, derived data types, one-sided communication, non-blocking collectives and hybrid MPI+threading approaches. Lectures will be interleaved with hands-on exercises. All exercises will be written in C, but the instructors will be able to answer questions about MPI in Fortran and Python.
This workshop targets programmers in both academia and industry who already have experience with basic MPI and are ready to take the next step to more advanced usage. Topics which will be covered include communicators, groups, derived data types, one-sided communication, non-blocking collectives and hybrid MPI+threading approaches. Lectures will be interleaved with hands-on exercises. All exercises will be written in C, but the instructors will be able to answer questions about MPI in Fortran and Python.
The aim of the course is to let participants learn how to use NAMD to set up basic molecular dynamics simulations, and to understand typical NAMD input and output files.
OpenMP provides an efficient method to write parallel programs in C, C++ and Fortran. OpenMP programs are suitable for execution on shared memory architectures such as modern multi core systems or a single compute node of the HPC clusters deployed by Lunarc or HPC2N, and within SNIC.
HPC2N is offering an ONLINE introduction course to HPC2N and Kebnekaise.
We begin with a short (optional) introduction to Linux, then continue with an introduction to HPC, HPC2N, and a walkthrough of Kebnekaise, including the GPUs and the KNLs. We then look at the module system and loading the software you need, and how to submit jobs through the batch system.
There will be hands-ons as a part of the course, where the participants get the opportunity to load modules, compile programs, and submit jobs to the Kebnekaise system.
The aim of this ONLINE course is to give an intro to classical Molecular Dynamics (MD) simulations and the combined Quantum Mechanical and Molecular Mechanics (QM/MM) simulations. We will start from scratch by setting a MD simulation, in the first half-day of the course, and then use this system to setup a QM/MM simulation. Regarding the software, we will use VMD, NAMD, ORCA, and GAUSSIAN for the full QM/MM protocol. We will also provide users with a set of best practices to improve the performance of their simulations.
