I run psi4 in python3 on a computer cluster with several nodes in parallel. Sometimes I get the error
PSIO_ERROR: Attempt to write into next entry: 35, SO-basis Overlap Ints PSIO_ERROR: unit = 35, errval = 18 PSIO_ERROR: 18 (Incorrect block end address)
which I cannot reproduce, because rerunning the specific calculations seems to work. I think, it has something to do with the scratch files, which psi4 tries to reuse based on the scratch files generated by other nodes.
My code is basically
geom = psi4.geometry(mol_str) psi4.energy("scf/sto-3G", mol=geom) psi4.core.clean()
so I do a clean after the energy calculation. Can someone help?