WebMO - Computational chemistry on the WWW
Recent news

WebMO 17.0 is now available for free download!

WebMO 17.0 Pro and Enterprise have a variety of additional features and is available for purchase.

The WebMO app is now available for iOS and Android.

August 17, 2019

Psi4 jobs always report failure when ... Log Out | Topics | Search
Moderators | Edit Profile

WebMO Support Forum » Running WebMO Jobs » Job Manager » Psi4 jobs always report failure when psi4 says "exiting successfully" « Previous Next »

Author Message
Corey Keasling
Unregistered guest
Posted on Tuesday, January 10, 2017 - 6:50 pm:   

I'm unable to figure out why WebMO always reports failure for psi4 jobs. A simple HF molecular energy calculation on a C2 molecule with a minimal basis set seems to complete, at least according to psi4. Psi4 itself reports "*** Psi4 exiting successfully. Buy a developer a beer!" as the final line of the output.out file. This should match the parse_psi_normal_termination test in parse_psi.cgi, yet for some reason it doesn't? Is it maybe related to search_from_end?

Is there a filehandle I can write debug output to in parse_psi.cgi? Any file, generally?

pbs_stderr reports a failure to remove the /tmp/webmo-* directory, but it reports the same failure for gaussian jobs and yet those return "Complete", not "Failed", so this seems unlikely to be the problem.

As always, thanks for the help!

Add Your Message Here
Post:
Username: Posting Information:
This is a public posting area. Enter your username and password if you have an account. Otherwise, enter your full name as your username and leave the password blank. Your e-mail address is optional.
Password:
E-mail:
Options: Post as "Anonymous"
Enable HTML code in message
Automatically activate URLs in message
Action:

Topics | Last Day | Last Week | Tree View | Search | Help/Instructions | Program Credits Administration