it, so I can
pass it on to our software maintenance guy. If there's anything else I
can try please let me know.
Best regards
Christian
------------
*Fra:* Wien på vegne af Gavin
Abo
*Sendt:* 21. oktober 2020 07:02:01
*Til:* wien@zeus.theochem.tuwien.ac.at
*Emne:* Re: [Wien]
it, so I can
> pass it on to our software maintenance guy. If there's anything else I can
> try please let me know.
>
> Best regards
> Christian
>
>
> --
> *Fra:* Wien på vegne af Gavin
> Abo
> *Sendt:* 21. oktober 2020 07:02:01
software maintenance guy. If there's anything else I can try
please let me know.
Best regards
Christian
Fra: Wien på vegne af Gavin Abo
Sendt: 21. oktober 2020 07:02:01
Til: wien@zeus.theochem.tuwien.ac.at
Emne: Re: [Wien] qtl: error reading parallel vectors
I'm n
Regarding [1], I did expect that you would have to submit the commands
within your job script via the SLURM workload manager on your system
with something like [5,6]
sbatch my_job_script.job
or by whatever method you have to use on your system. Where, the
commands at [7] are in th
I'm not sure about the physics of the following WIEN2k 19.2 parallel
calculation (with all patches at [1] applied), but mechanically the "x
qtl -p -telnes" seems to have run without error.
I typically have SCRATCH in my .bashrc set to "./" but used another
location "/home/username/wiendata/sc
Greetings
I am trying to run qtl in order to calculate the partial charge densities for
the telnes3 program. The following fails, generating the error in the subject
line:
run_lapw -p
x qtl -p -telnes
Meanwhile, the following works:
run_lapw -p
x lapw2 -p -qtl
However,
6 matches
Mail list logo
