[Wien] error while loading shared libraries libmpi_usempif08.so.40

[venky ch]

Dear Prof. Blaha,

Thanks for your clarification. Will you help me now how to locate the
"libmpi_usempif08.so.40"

I would like to know, Is there any relation to the mentioned error and
OMP_SWITCH.

Do you suggest that I must install wien2k by loading the cray-mpich module
instead of the intel module.?

Venkatesh
Postdoctoral Fellow,
Department of Instrumentation and Applied Physics
IISc Bangalore, India


On Fri, Aug 6, 2021 at 12:18 PM Peter Blaha <pblaha at theochem.tuwien.ac.at>
wrote:

> In any queuing system there is a way that your job gets to know which
> nodes you have.
> Then use a script to write the .machines file on the fly. Examples at:
>
> http://www.wien2k.at/reg_user/faq/
>
> Am 8/6/21 um 8:12 AM schrieb venky ch:
> > Dear Prof. Blaha,
> >
> > Thank you for your reply.
> >
> > Yes, I have also loaded the module intel in the job script.
> >
> > Further, I would like to know that If there is no way to get the
> > nodelist from a HPC, then how one could write the .machines files to run
> > the mpi parallelization. Is there any way to have a universal .machines
> > file so that it runs in different types of clusters (a script that it
> > automatically generates the content within the .machines file depending
> > on the cluster environment)
> >
> > thanks
> >
> > Venkatesh
> > Postdoctoral Fellow,
> > Department of Instrumentation and Applied Physics
> > IISc Bangalore, India
> >
> >
> > On Fri, Aug 6, 2021 at 11:02 AM Peter Blaha
> > <pblaha at theochem.tuwien.ac.at <mailto:pblaha at theochem.tuwien.ac.at>>
> wrote:
> >
> >     You mentioned that you loaded the module intel when compiling wien2k.
> >
> >     Did you also load this module when running the code ?
> >
> >     PS: Please read the UG about k-point and mpi parallelization.
> >
> >     Am 06.08.2021 um 06:50 schrieb venky ch:
> >      > Dear Prof. Marks,
> >      >
> >      > Thanks for your reply. Before installing the Wien2k, I have
> >     loaded the
> >      > module intel which drives me to the mpi path as defined in the
> >      > WIEN2k_OPTIONS.  Further, these
> >     switches "current:OMP_SWITCH:-qopenmp &
> >      > current:OMP_SWITCHP:-qopenmp" are automatically selected.
> >      >
> >      > I would like to know, Is there any relation to the mentioned
> >     error and
> >      > OMP_SWITCH.
> >      >
> >      > Do you suggest that I must install wien2k by loading the mpich
> >     module
> >      > instead of the intel module.?
> >      >
> >      > thanks
> >      >
> >      > Venkatesh
> >      > Postdoctoral Fellow,
> >      > Department of Instrumentation and Applied Physics
> >      > IISc Bangalore, India
> >      >
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> >     --
> >
>  --------------------------------------------------------------------------
> >     Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> >     Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
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> --
> Peter Blaha, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-165300          Email: peter.blaha at tuwien.ac.at
> WWW: http://www.imc.tuwien.ac      WIEN2k: http://www.wien2k.at
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