CP2K comes with a set of regression tests. Might be a good idea to add a regression test for CP2K. This only covers functionality, not performance.
The current performance tests does not work on Archer2. It also struggles on cirrus-ex , so likely needs to be updated for the latest version of cp2k, as the original benchmark has not been updated in a long time.
Related to #86.
CP2K comes with a set of regression tests. Might be a good idea to add a regression test for CP2K. This only covers functionality, not performance.
The current performance tests does not work on Archer2. It also struggles on cirrus-ex , so likely needs to be updated for the latest version of cp2k, as the original benchmark has not been updated in a long time.
Related to #86.