Scratch is FULL

Dear PSI4 users,

I have been running SAPT0 calculations for the big size molecules. ( ~150 atoms)
It runs fine until the scratch directory is full.
My hard disk has ~350GB free space, but it’s not enough for this calculation.
Adding more hard disks is not a possible solution now.
Is there option to avoid such large temporary file, like direct scf calculation?


Hi Hyungjun,

SAPT0 shouldn’t be dumping files quite that large, even for computations on systems that size. Are you sure that the entire 350GB of free space on your disk is available to Psi4, or are there other partitions on it?

If you could provide an input that fails for you, that also might help pinpoint what’s going wrong.

~ Dom