OpenKIM + LAMMPS + Apptainer in Carbon tutorial
Running OpenKIM enabled LAMMPS via apptainer in Carbon
Running OpenKIM enabled LAMMPS via apptainer in Carbon
HPC
A singularity container for LAMMPS with NVHPC from scratch (unsecure root method)
Building a custom LAMMPS singularity container using "singularity flow".
Building a custom LAMMPS singularity container using "singularity flow".
Beginner's notes on running Quantum Espresso and NVIDIA Singularity container
Quantum Espresso Singularity image
Quantum Espresso Singularity image
Modifying NVHPC/22.7 module for openmpi4 in VEGA
User side modulefiles with lmod and NVHPC module with openmpi4 instead of openmpi3
User side modulefiles with lmod and NVHPC module with openmpi4 instead of openmpi3
- Read more about Modifying NVHPC/22.7 module for openmpi4 in VEGA
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Using Singularity for Quantum Espresso
Singularity Slurm script for Quantum Espresso
Singularity Slurm script for Quantum Espresso
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Updated list of environment variables set by slurm
Updated list of Slurm variables.
Updated list of Slurm variables.
How to collect GPU/CPU profiling data using NVHPC SDK in an HPC environment
How to profile GPU applications using NVIDIA HPC (2022 version)
How to profile GPU applications using NVIDIA HPC (2022 version)
Suggestions for connecting to HPC resources using Windows
If you are a Windows user, and don't have a clue on how to interact with HPC clusters, here are a list of suggestions for you.
If you are a Windows user, and don't have a clue on how to interact with HPC clusters, here are a list of suggestions for you.
PRACE Training Portal
Browse, search, explore upcoming training events of PRACE
Browse, search, explore upcoming training events of PRACE
- Read more about PRACE Training Portal
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openACC and VASP 6
VASP 6 with openACC
VASP 6 with openACC
- Read more about openACC and VASP 6
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