Installation issues: Rocky 8.8 x86 on a Broadwell processor
Posted: Fri Nov 10, 2023 9:15 am
We are building VASP on Rocky 8.8 x86 on a Broadwell processor.
The makefile.include.intel_ompi_mkl_omp ran into issues. The first issue was that it needed, for some reason, to use gfortran. When that lmod module was loaded, then it ran into the issue that gfortran was being passed the wrong option for openmp; it was being passed qopenmp. So, it will not compile.
We used makefile.intel to successfully build gam and std.
We were also successful in building those two binaries with makefile.intel_omp.
Does the intel_omp use Intel’s mkl? It seems that it does, as many of the compile lines include items from the mkl path. If so, we’re probably good to go, as that option would be our preference (all intel mpi, mkl, and omp).
Regardless, please know about the issue with intel_ompi_mkl_omp.
The makefile.include.intel_ompi_mkl_omp ran into issues. The first issue was that it needed, for some reason, to use gfortran. When that lmod module was loaded, then it ran into the issue that gfortran was being passed the wrong option for openmp; it was being passed qopenmp. So, it will not compile.
We used makefile.intel to successfully build gam and std.
We were also successful in building those two binaries with makefile.intel_omp.
Does the intel_omp use Intel’s mkl? It seems that it does, as many of the compile lines include items from the mkl path. If so, we’re probably good to go, as that option would be our preference (all intel mpi, mkl, and omp).
Regardless, please know about the issue with intel_ompi_mkl_omp.