VEGA A100 GPU cluster is a cost-effective platform for quantum code development
Multi-GPU scaling of Pennylane Quantum Simulator for machine learning applications
Running OpenKIM enabled LAMMPS via apptainer in Carbon
Building a custom LAMMPS singularity container using "singularity flow".
Quantum Espresso Singularity image
User side modulefiles with lmod and NVHPC module with openmpi4 instead of openmpi3
Singularity Slurm script for Quantum Espresso
Updated list of Slurm variables.
Is it a good idea to turn on real_space when using GPU?
How to profile GPU applications using NVIDIA HPC (2022 version)