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_______________________________________________
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
