[Wien] Error in compilation of lapw0

[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
relevant intel scripts to setup the paths or do it by hand?

N.B., you can avoid many of these issues by just using -mkl=parallel
although this may require editing the Makefile definitions a little since I
seem to remember that the configure script is not setup for this.

_____
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Gyorgi
www.numis.northwestern.edu

On Thu, Jan 7, 2021, 05:19 Vidit Zala <viditz at gujaratuniversity.ac.in>
wrote:

> 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 -xCORE-AVX2 -FR -mp1 -w -prec_div -pc80 -pad -ip
> -traceback -assume buffered_io -I$(MKLROOT)/include
> -I$(MKLROOT)/include/intel64/lp64
>
> R_LIBS : -L$(MKLROOT)/lib/intel64 -lmkl_scalapack_lp64 -lmkl_cdft_core
> -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lmkl_blacs_intelmpi_lp64
> -lpthread -lm -ldl
>
> During the compilation of lapw0, I am getting an error saying,
>
> ld: cannot find
> -/intel/compilers_and_libraries_2019.4.243/linux/mkl/lib/intel64: File
> format not recognized
> Makefile:131: recipe for target 'lapw0' failed
> make[1]: *** [lapw0] Error 1
> make[1]: Leaving directory '-/Wien2k/SRC_lapw0'
> Makefile:120: recipe for target 'seq' failed
> make: *** [seq] Error 2
> make: *** No rule to make target 'complex'.  Stop.
>
>
> What should I do? Please guide me.
>
> Thank you.
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