We are actively investigating intermittent slowness on the shared /fs/scratch filesystem.

OSC systems staff will execute a rolling reboot across all active compute clusters (Pitzer, Ascend, and Cardinal) beginning Thursday, November 05.

cp2k/2023.2 can produce huge output containing MKL messages

Resolution: 
Resolved
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.:

Intel MKL ERROR: Parameter 7 was incorrect on entry to mkl_dimatcopy. 

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 all clusters.