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

[Peter Blaha]

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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