The error you have is NOT a compilation error: it is an error at the linking stage, apparently related to openmpi and blacs. The following comment in configure.ac may be useful:
# If you want to use the version of scalapack distributed with MKL # you should be careful about: # 1) the size of the integer variable when calling MKL subroutine, # QE (up to now) uses integer*4, so you should link version with # the suffix: lp64 and NOT ilp64 . # 2) you should link the appropriate blacs for your MPI library: # INTEL MPI -> libmkl_blacs_intelmpi_lp64.a # OpenMPI -> libmkl_blacs_openmpi_lp64.a # SGI MPI -> libmkl_blacs_sgimpt_lp64.a P. -- Paolo Giannozzi, IOM-Democritos and University of Udine, Italy
