[Pw_forum] erroe in compilation Espresso-5.0

Paolo Giannozzi giannozz at democritos.it
Thu May 31 16:18:36 CEST 2012


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





More information about the users mailing list