[Wien] problem in compiling mstar with gfortran

halim said halim_said04 at yahoo.fr
Fri Jan 27 07:38:08 CET 2023


Dear Professors,
I would like to compute the effective mass and tried to compile the software mstar in combination with wien2 kby using gfortran,  which is provided by Prof Oleg Rubel. I have read through the mailing list and Prof Oleg mentioned that Prof Peter Blaha, compiled the code with gfortran and worked fine.
I have commented the part related to ifort and uncommented the gfortran in the makefile:

| FC = gfortran |
|  | FCFLAGS = -I${MKLROOT}/include -fopenmp -g -fbacktrace -ffpe-summary=none |
|  | FLFLAGS = -L${MKLROOT}/lib/intel64 -lmkl_gf_lp64 -lmkl_sequential -lmkl_core -lpthread -fopenmp -ldl -g -fbacktrace -ffpe-summary=none |


All object files were created but it seems that the problem is related to the routines of diagonalization.
Please find below the error that I got, I appreciate your help.
--------------
make

gfortran-L/opt/intel/compilers_and_libraries_2017.4.196/linux/mkl/lib/intel64-lmkl_gf_lp64 -lmkl_sequential -lmkl_core -lpthread -fopenmp  -g -fbacktrace -ffpe-summary=none  -o mstar read_mommat_pij_vasp.o mstar.o eigvs.oread_mommat_pij.o kdelta.o read_numlines_vasp.o read_numlines.o eigvz.oread_mommat_nb.o dgenen.o

/usr/bin/ld:eigvs.o: in function `eigvs_':

/home/mstar-master/eigvs.f90:44:undefined reference to `ssyevd_'

/usr/bin/ld:/mstar-master/eigvs.f90:61: undefined reference to `ssyevd_'

/usr/bin/ld:eigvz.o: in function `eigvz_':

/home/ mstar-master/eigvz.f90:49:undefined reference to `cheevd_'

/usr/bin/ld:/home/mstar-master/eigvz.f90:67: undefined reference to `cheevd_'

collect2:error: ld returned 1 exit status

make: ***[makefile:43: mstar] Error 1
----------
Looking forward for your answer to solve my problem.
Kind regards,
Halim Said
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