[CP2K-user] [CP2K:19460] Use CP2K.SIF in HPC by singularity

zw yang yangzw157 at gmail.com
Fri Nov 3 13:30:07 UTC 2023


recently, I wanna calculate in hpc, I load cp2k by singularity .  But I'm 
not going to write a script that uses singularity to calculate cp2k on Hpc. 
Can somebody give me some advice?

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