adding phonopy_daint #27
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Hi @AndresOrtegaGuerrero, I'd rather not using packages from user's folder, it is neither not secure for other user to run it (although rarely) nor it is not future proof if you move file around. What I'd recommend is to use the containerized code powered by the singularity. Can you check with @mikibonacci to see how he set this on PSI HPC and set up on daint the same way. |
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Hi @unkcpz , yeah i realize is better to containerized instead , so thats why i put this PR as a draft , i will make do it as Miki did |
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This PR includes phonopy for daint.gpu