ERROR: no process found

[oarcelus]

Dear All,

Im using custodian, with python 3.6.8 in a a linux machine. The queue system is PBS.

When I launch the PBS script, instead of running the VASP binary, I run a python script instead that initializes a Custodian object and launches the job with 'vasp_cmd' being the command that I usually use to directly run VASP in a PBS script.

At first it runs, but then I get the following in the error log.

ERROR:custodian.custodian:
{ 'actions': [ { 'action': { '_set': { 'POTIM': 0.30000000000000004}},
'dict': 'INCAR'}],
'errors': [ 'brions'],
'handler': <custodian.vasp.handlers.VaspErrorHandler object at 0x2acf80726b00>}
/software/bin/vasp: no process found

The file error1.tar.gz contains an empty std_err file. The OSZICAR file contains a completely normal behavior but its cut in the middle of the 3rd ionic step.

I dont know why Custodian runs well at first, and then decides to stop the ionic relaxation in the middle of a scf iteration, and when rerunning does not find the binary.

Does anybody know whats going on?

Best regards,

Oier.

CIC Energigune

[shyuep]

Honestly, this is a bit strange. Is /software/bin/vasp the correct path for VASP?

[nwinner]

For what its worth, I see this message all the time saying no process found, and the job just keeps running as normal. Might not be related to custodian.