[Wien] ** testerror: Error in Parallel LAPW

[Peter Blaha]

The example you showed us, was a k-parallel job on only one node.

To fix this, just set USE_REMOTE to zero (either in $WIENROOT 
permanently, or temporarily in your submitted job script.


Another test would be to make a new wien2k-installation using 
"ifort+slurm" in siteconfig. It may work out of the box, in particular 
when using mpi-parallel. It uses   srun,  but I'm not sure if all 
slum-configurations are identical to your cluster.


Am 21.06.2023 um 22:58 schrieb Ilias Miroslav, doc. RNDr., PhD.:
> Dear all,
>
> ad: 
> https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg22588.html 
>
> " In order to use multiple nodes, you need to be able to do 
> passwordless ssh to the allocated nodes (or any other command 
> substituting ssh). "
>
> According to our cluster admin, one can use (maybe) 'srun' to allocate 
> and connect to a batch node. 
> https://hpc.gsi.de/virgo/slurm/resource_allocation.html
>
> Would  it possible to use  "srun" within Wien2k scripts to run 
> parallel jobs please ?  We are using common disk space on that cluster.
>
> Best, Miro
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

-- 
-----------------------------------------------------------------------
Peter Blaha,  Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-158801165300
Email:peter.blaha at tuwien.ac.at           
WWW:http://www.imc.tuwien.ac.at       WIEN2k:http://www.wien2k.at
-------------------------------------------------------------------------
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20230622/121a04d5/attachment.htm>