Dear WIEN2k Support Team,
I hope this email finds you well. I am trying to compute effective masses using the mstar code in combination with WIEN2k, and I 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 are the 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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