Dear Sir,
I am trying to compile Wien2k version 19.1 on a system with intel Core i7
processor (Haswell), having ubuntu-18.04.5 installed in it. I am using intel
parallel_studio_xe_2019_update4_cluster_edition for libraries, with mpiifort
and icc as compilers.
I have kept
Compiler option : -O3
My guess is that you have not appropriately setup $MKLROOT. Try the command
"ls -l $MKLROOT" and check whether it is right and you have permissions.
The default path has an "/opt" in front which you are missing. (But you
might have installed to /intel rather than /opt/intel.) Did you source the
rel
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