WebMO Support Forum

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.

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...

Hello,

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

Regards

Sean

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...

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 issu...

Thanks, will give it a try, much appreciated.

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

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 ...

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...

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...