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Infant83 / TBFIT

Tight-binding parameter fitting package (TBFIT) for Slater-Koster method
GNU General Public License v3.0
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Can't finish installation #2

Closed perrychen0417 closed 5 years ago

perrychen0417 commented 5 years ago

Hello,

When I installed the tbfit code, I faced a question. I gave command "make tbfit" as the manual says. I went to TBFIT-master folder and typed 'make tbfit'. While the system tells me: No rule to make target '/include/mkl_spblas.f90', needed by 'mkl_spblas.o'. Stop.

I think I didn't finish installation because when I went to the SOC folder and input "tbfit < /dev/null | tee log.out", I got "Command 'tbfit' not found, did you mean:".

I want to ask whether I need to download mkl_spblas.f90? Or whether I have to change any route in the makefile? I still can't realize anything wrong in my step.

I think TBFIT will be a very good tool for me if I can success in installing. Thank you for your providing code.

Infant83 commented 5 years ago

If you put -DMKL_SPARSE option in your OPTION tag of makefile, you need to make sure that the mkl_spblas.f90 is exist in $(MKLPATH)/include/mkl_spblas.f90

Please check your MKL version. If available, please use recent MKL distributions.

If you don't need to work with sparse matrix eigensolver, then just remove -DMKL_SPARSE option. The installation problem will be gone away, but some features will be restricted.

Thank you.