Re: Installation of VASP 6.2 - Tests failed
Posted: Tue Jun 08, 2021 7:35 am
One thing I noticed in your makefile.include is that you use -mkl=cluster. I did not encounter this setting yet; how did you come up with it as it is also not present in the template makefile.include?
I am not sure if you are aware of the link line advisor for Intel. I tried to put in the settings based on what I read about your setup and got:
Link line: -L${MKLROOT}/lib/intel64 -lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64 -lpthread -lm -ldl
Compiler options: -mkl=sequential
which seems to match what the default makefile.include sets, but notice the mkl=sequential compare to your setup.
I am not sure if you are aware of the link line advisor for Intel. I tried to put in the settings based on what I read about your setup and got:
Link line: -L${MKLROOT}/lib/intel64 -lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64 -lpthread -lm -ldl
Compiler options: -mkl=sequential
which seems to match what the default makefile.include sets, but notice the mkl=sequential compare to your setup.