Search found 14 matches

by smcgrat
Tue Aug 18, 2020 10:10 am
Forum: Job Manager
Topic: vasp jobs not appearing to execute
Replies: 5
Views: 42826

Re: vasp jobs not appearing to execute

Brief update, we managed to get a VASP job to run by turning off MPI support and ensuring there was a compressed POTCAR.Z file for each corresponding POTCAR file.
by smcgrat
Wed Aug 12, 2020 5:17 pm
Forum: Job Manager
Topic: vasp jobs not appearing to execute
Replies: 5
Views: 42826

Re: vasp jobs not appearing to execute

OK, so I took another poke at this. It turns out that there were issues in the errors log about not being able to find the POTCAR.Z file: $ tail -1 /usr/local/webmo/private/webmo/errors gzip: /home/users/webmo/vasp/vasp_5.4/potpaw_PBE/Mg/POTCAR.Z: No such file or directory So I created symlink to th...
by smcgrat
Wed Aug 12, 2020 2:09 pm
Forum: Job Manager
Topic: vasp jobs not appearing to execute
Replies: 5
Views: 42826

Re: vasp jobs not appearing to execute

Hello,

We still haven't been able to get this working. Any assistance would be very much appreciated please.

Regards

Sean
by smcgrat
Wed Aug 05, 2020 3:22 pm
Forum: Job Manager
Topic: vasp jobs not appearing to execute
Replies: 5
Views: 42826

Re: vasp jobs not appearing to execute

Thanks schmidt. When I try to manually submit the job with the following /bin/sbatch --reservation=webmo -J WebMO_24 -o /usr/local/webmo/private/webmo/graeme/24/pbs_stdout -e /usr/local/webmo/private/webmo/graeme/24/pbs_stderr -p 'compute' --nodes=1 --tasks-per-node=1 pbs_script.sh I still get the s...
by smcgrat
Fri Jul 24, 2020 2:24 pm
Forum: Job Manager
Topic: vasp jobs not appearing to execute
Replies: 5
Views: 42826

vasp jobs not appearing to execute

Hello again, sorry to be a repeated nuisance. Background & Summary VASP has been added as an interface and a small test job submitted. VASP appears to hang when being executed by the assigned node in the HPC cluster webmo is running on though. The necessary POTCAR file is empty. (That is an issue we...
by smcgrat
Wed Jul 22, 2020 3:45 pm
Forum: Batch Queue Manager (Enterprise)
Topic: Specifying slurm reservation
Replies: 2
Views: 27827

Re: Specifying slurm reservation

Thanks, will give it a try, much appreciated.
by smcgrat
Wed Jul 22, 2020 3:02 pm
Forum: Batch Queue Manager (Enterprise)
Topic: Specifying slurm reservation
Replies: 2
Views: 27827

Specifying slurm reservation

Hello, (Apologies for the multiple different posts). Is it possible to configure webmo to use a specified slurm reservation by default for all batch jobs? E.g. include the following in all sbatch submissions: --reservation=webmo Apologies if I missed this somewhere in documentation. Regards Sean
by smcgrat
Wed Jul 22, 2020 2:53 pm
Forum: Job Manager
Topic: Jobs can't create run_log file
Replies: 8
Views: 57425

Re: Jobs can't create run_log file

Hi, sorry to ressurect this yet again. I'm still getting problems unfortunately and would appreciate your help please. I've found a work around but its messy and brittle and I have to be doing something wrong here to be causing it. The .webmo_profile environmental control doesn't seem to be working ...
by smcgrat
Fri Jul 17, 2020 2:45 pm
Forum: Job Manager
Topic: Jobs can't create run_log file
Replies: 8
Views: 57425

Re: Jobs can't create run_log file

Actually, is the webmoUserDir where the .webmo_profile should go the same as the "User files directory" from the configuration step specified with setup.pl during installation?

I've put a .webmo_profile file there anyway to find out and see how it goes once the cluster runs the job.

Thanks

Sean
by smcgrat
Fri Jul 17, 2020 2:37 pm
Forum: Job Manager
Topic: Jobs can't create run_log file
Replies: 8
Views: 57425

Re: Jobs can't create run_log file

Thanks schmidt. Your help is very much appreciated. I've created a webmo account in our ldap and transferred to that, hopefully that will make things a little easier. I am submitting jobs to the slurm queue as the webmo user from the VM as follows: sbatch -J WebMO_2 -o /usr/local/webmo/private/webmo...