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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