balston

I'm now adding the fixes ...

The fixes have been added to the build scripts repro. Downloading to Kathleen and testing ...

I've run the updated R-4.1.1_MPI_install build script on Kathleen and submitted a snow test job on 80 cores.

My test job still fails so investigating what I've done wrong!

This version will need to be purchased I believe.

Previous minor upgrades have come out of RITS budget I think. Current cost looks like $575 + docs (~ $50) + shipping.

User tried downloading the binary version but this didn't work.

A test build using Spack, GCC 12.x and OpenMPI 4.1.4 is under way but not completed.

It looks like Spack doesn't yet include version 2023.1. Here is the output from running; ``` spack info cp2k ``` in my test Spack site: ``` MakefilePackage: cp2k Description: CP2K...

Building CP2K 2022.1 with all options set to defaults in my test Spack site using: ``` spack install -v cp2k %[email protected] 2>&1 | tee cp2k_CPU-build.log ```