gfortran-mpi compilation error

[dapshenay]

Dear Developers,

While compilling master-version for gfortran-mpi I got an error:

wanniercenter_adaptive.o: In function wcc_integrate_func_': /home/dmitry/nfs_sm/_prog_/wannier_tools-master/src/wanniercenter_adaptive.f90:849: undefined reference toarpack_sparse_cooeigs' collect2: error: ld returned 1 exit status Makefile:36: recipe for target 'main' failed make: *** [main] Error 1

I commented out few lines around the call for arpack_sparse_coo_eigs in wanniercenter_adaptive.f90, and managed to compile code. But I am not sure if the resulting code is apropriate (although it gave similar to example results for OHE for Cu)

The questions are: 1) Which library do I need to compile the code in original version?

2) And also, if possible - give me an advise how to speed up OHE calculations. Is only MPI used, or OMP also? Can MKL (commented out in Makefile) be helpful?

Best regards, Dmitry

[samfux84]

Same problem here. I tried to compile it with GCC 6.3.0 and OpenBLAS 0.3.20 and got the same error.

As the error points to Arpack being required, I loaded the arpack-ng/3.8.0 and replaced

LIBS = -L$(OPENBLAS_ROOT)/lib -lopenblas

with

LIBS = -L$(OPENBLAS_ROOT)/lib -lopenblas -L$(ARPACK_NG_ROOT)/lib64 -larpack

but I still get the same error

[hhy778]

Has this been solved? I got the same issue, also installed Arpack-ng and changed the path etc.