hongyi-zhao
hongyi-zhao
@RyanBernX Thanks a lot. Based on your valuable instructions, I found out the following workable linking libraries setting in [`Makefile.intel-mpi`](https://github.com/quanshengwu/wannier_tools/blob/master/src/Makefile.intel-mpi) for compiling [wannier_tools](https://github.com/quanshengwu/wannier_tools): ``` ARPACK=/home/werner/Public/repo/github.com/opencollab/arpack-ng.git/SRC/.libs/libarpack.a # blas and lapack libraries...
Yes, see following: ``` # The git commit hash of the repo for my case: $ git log -1 commit 0a655d918d558ef97881db2760668b8d1e3b4bc1 (HEAD -> master, origin/master, origin/HEAD) Author: Haoyang Liu Date:...
> So it's Intel and/or MKL specific problem. Following _exactly_ https://software.intel.com/content/www/us/en/develop/tools/oneapi/components/onemkl/link-line-advisor.html may help. It generated the following link line and compiler options: Use this link line: ` -Wl,--start-group ${MKLROOT}/lib/intel64/libmkl_intel_ilp64.a ${MKLROOT}/lib/intel64/libmkl_sequential.a...
> @hongyi-zhao > Try this: > > ``` > F77=ifort FC=ifort CC=icc CXX=icpc MPIF77=mpiifort LIBS="-Wl,--start-group ${MKLROOT}/lib/intel64/libmkl_intel_lp64.a ${MKLROOT}/lib/intel64/libmkl_sequential.a ${MKLROOT}/lib/intel64/libmkl_core.a -Wl,--end-group -lpthread -lm -ldl" ../configure --enable-mpi --enable-static > ``` > > I...
> `cmake` may end-up with different compile / link options than `configure`. AFAIR, when using intel, you need to make sure your env is intel-compliant : some scripts (`ifortvars.sh` or...
@RyanBernX Thank you very much for your in-depth explanation. Based on my rough intuition, if we use ILP64, then does it mean that LP64 will also be supported?
> Not sure what you are asking. I mean the backward compatibility, i.e., in this scenario, ILP64 should be compatible with LP64. It seems that LP64/ILP64 belong to 64-bit [data...
> `cmake` may end-up with different compile / link options than `configure`. AFAIR, when using intel, you need to make sure your env is intel-compliant : some scripts (`ifortvars.sh` or...
> 1. ARPACK only requires external libs to provide BLAS/LAPACK functionality. It does not need the headers in MKL. Even so, I don't think the compiler options below should trigger...
Again, thank you very much for clarifying any misunderstanding or conceptual confusion I may have had. > 1. Add `-DMKL_ILP64` to the compiler options. Just an additional/complementary note excerpted from...