[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
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