UCL-ARC / UCL-ARC/rcps-buildscripts

Install Request: VASP GPU version built with Cray PE

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@heatherkellyucl is already working on this.

Since Mar 28, 2022.

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Description

For EPSRC.

The CRAY PE is short-term available in a Singularity container on Myriad for testing.

# helps set up Singularity env appropriately
module load singularity-env/1.0.0

singularity run /shared/ucl/apps/CrayPE/CrayPE

Try to build VASP!

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