search

pyiron / FAQs

General question board for pyiron users
3 stars 0 forks source link

Pyiron on HPC cluster - potential files missing #6

Closed pkruzikova closed 9 months ago

pkruzikova commented 9 months ago

Hi,

I've installed pyiron on the cluster using the quickstart installation, but when I try to run the test file (step 12), I get a ValueError: Was not able to locate the potential files. This checks out, as I couldn't find any potential files either when I looked. I have all the necessary files on my local installation, is copying them from there to cluster a bad idea? Or should I follow the download pyiron parameter files?

Thanks!

mbruns91 commented 9 months ago

Did you install pyiron via conda? If yes, I think doing conda install -c conda-forge pyiron-data does the trick. Or did you do that already? Then, I guess your RESOURCE_PATHS is not correct. Does the information here help?

pkruzikova commented 9 months ago

The conda install -c conda-forge pyiron-data helped - works now, thanks!

jan-janssen commented 9 months ago

I guess this is something we have to be careful with, since we switched the conda package to use grayskull for updates the pyiron-data package is no longer included. An alternative option would be to release the pyiron-data package also on pypi.