[Wien] Error in compilation of lapw0

2021-01-07 Thread Vidit Zala
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

Re: [Wien] Error in compilation of lapw0

2021-01-07 Thread Laurence Marks
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