WebMO - Computational chemistry on the WWW
Recent news

WebMO 13.0 is now available for free download!

WebMO 13.0 Pro and Enterprise have a variety of additional features and is available for purchase.

WebMO can now build bulk, periodic (1D, 2D, 3D) materials. Periodic calculations are supported in Gaussian, PWSCF, and VASP!

August 24, 2019

Gaussian Job with Multicore processor Log Out | Topics | Search
Moderators | Edit Profile

WebMO Support Forum » Running WebMO Jobs » Other » Gaussian Job with Multicore processor « Previous Next »

Author Message
Anonymous
 
Posted on Tuesday, January 29, 2013 - 12:09 am:   

I am using WebMO enterprise version and trying to run a Gaussian job with the multicore processors on one single node. The node has 6
cores.
The 'Processors/node' in Gaussian job option was set to 2 (or 4). However, the job failed right after generating several necessary input files. The run_log file was not generated at all. The job with one processor was run ok.
I have no problem in submitting a Gaussian job with my own pbs script using multicores.
Do you have any idea what was wrong?
JR Schmidt
Moderator
Username: Schmidt

Post Number: 329
Registered: 11-2006
Posted on Tuesday, January 29, 2013 - 9:20 am:   

Check the pbs_script.sh while is generated in the job directory. This is a copy of the script that is submitted to PBS (or your other queuing system). It is possible that the PBS options for specifying the number of procs. / node is not compatible with your particular PBS version. This can easily be modified in your daemon_pbs.cgi script.

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