Resolution:
Resolved
Workaround Link:
Affected Software:
On all clusters the cp2k executables from module cp2k/2023.2 can produce huge output files due to many many repeating errors from MKL, e.g.:
These errors are innocuous with respect to the calculation results; however, their number produces unwieldy output files. The workaround is to use an alternate installation of cp2k, e.g.:
module load gcc/12.3.0 openmpi/5.0.2 cp2k/2023.2-openblas
This workaround is currently available on Pitzer and planned for the other clusters.