When using the srun setup of WIEN2k it means that you are tightly
integrated into your system and have to follow all your systems default
settings.
For instance you configured CORES_PER_NODE =1; but I very much doubt
that you cluster has only one core per node and srun will probably make
cert
A guess: your srun is setup to use openmpi or something else, not intel
impi which is what you compiled for. Check what you have loaded, e.g. use
"which mpirun".
N.B. testing using lapw0 is simpler.
On Tue, Nov 26, 2019 at 12:07 PM Hanning Chen wrote:
> Dear WIEN2K community,
>
>
>
> I am a n
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