Multiwfn forum

saeed_E

Member

Registered: 2019-12-21

Posts: 244

Psi4 Scratch folder would not be emptied. Why?

Dear Tian,

If possible, please let me ask you a short question regarding Psi4.
Recently, I lost my Psi4 code and had to again install its newest version 1.9.1 through "Conda-Forge". Moreover, I did build a scrath folder for Psi4 in the Home directory and its path was truly included in ".bashrc". When a given Psi4 task is ran, this folder is filled and empty alternately. But, after finishing calculations, this folder remains full and there are several files in it that must be deleted manually, while there was no such problem before. Please also let me state that the problem mentioned above only exists for "CBS-extrapolations" calculations while "SAPT" calculations are never encountered such a problem.

Could you please let me know how I can resolve this problem so that this folder, when a task is over, to be emptied automatically as before?

In advance, too many thanks for your highly valuable guidance.

Sincerely,
Saeed

Last edited by saeed_E (2024-07-28 09:17:31)

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,830

Website

Re: Psi4 Scratch folder would not be emptied. Why?

Sorry, I don't know much about this issue.

saeed_E

Member

Registered: 2019-12-21

Posts: 244

Re: Psi4 Scratch folder would not be emptied. Why?

Dear Tian,
Thank you very very much for your kind attention, my nice friend.

Sincerely,
Saeed