[Wien] Assistance with Compiling mstar for Effective Mass Calculations with WIEN2k 23.1

[Peter Blaha]

Change into   $WIENROOT/SRC_mstar  and edit the Makefile.
You should not see the mkl-libraries, but the same libraries as in all 
other source directories.
Eventually, change the corresponding lines and recompile using

make; cp mstar ..



Am 18.01.2026 um 11:34 schrieb uchit chaudhary:
> Dear WIEN2k Support Team,
> 
> 
> I hope this email finds you well. I am tryingto computeeffective masses 
> using the mstar code in combinationwith WIEN2k, andI am currently 
> using*WIEN2k version 23.1*on my Linux system.I am attempting to compile 
> mstar with *gfortran*and linking to *OpenBLAS*, as my system does not 
> use Intel MKL. While following the installation instructions and 
> modifying the Makefile to enable gfortran, I encountered compilation 
> errors related to MKL libraries (-lmkl_gf_lp64, -lmkl_sequential, - 
> lmkl_core) because these libraries are not present on my system.
> 
> 
> For reference, here arethe relevant details of my WIEN2k installation 
> and options file attached.
> 
> #WIEN2k_OPTIONS
> 
> current:FOPT:-ffree-form -O2 -ftree-vectorize -march=native -ffree-line- 
> length-none -ffpe-summary=none
> current:FPOPT:-ffree-form -O2 -ftree-vectorize -march=native -ffree- 
> line-length-none -ffpe-summary=none -fallow-argument-mismatch
> current:OMP_SWITCH:-fopenmp
> current:OMP_SWITCHP:-fopenmp
> current:LDFLAGS:$(FOPT) -L../SRC_lib
> current:DPARALLEL:'-DParallel'
> current:R_LIBS:/usr/lib64/libopenblas_openmp.so.0 -lpthread
> current:RP_LIBS:-lredist -ltools -lfblacs -lblacs -lmpi
> current:FFTWROOT:/usr/lib/
> current:FFTW_VERSION:FFTW3
> current:FFTW_LIB:lib64
> current:FFTW_LIBNAME:fftw3
> current:LIBXCROOT:/usr/lib/
> current:LIBXC_FORTRAN:xcf03
> current:LIBXC_LIBNAME:xc
> current:LIBXC_LIBDNAME:x86_64-linux-gnu
> current:SCALAPACKROOT:
> current:SCALAPACK_LIBNAME:
> current:BLACSROOT:
> current:BLACS_LIBNAME:
> current:ELPAROOT:
> current:ELPA_VERSION:
> current:ELPA_LIB:
> current:ELPA_LIBNAME:
> current:MPIRUN:mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_
> current:CORES_PER_NODE:1
> current:MKL_TARGET_ARCH:
> 
> Could you please advise the recommended way to compile mstar on a system 
> with WIEN2k 23.1, using gfortran and OpenBLAS, without Intel MKL?
> 
> Thank you very much for your guidance.
> 
> 
> Best regards,
> 
> Uchit Chaudhary
> 
> 
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-- 
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Peter Blaha,  Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
Email: peter.blaha at tuwien.ac.at
WWW:   http://www.imc.tuwien.ac.at      WIEN2k: http://www.wien2k.at
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