[Pw_forum] problem with bands.x
Paolo Giannozzi
paolo.giannozzi at uniud.it
Fri Apr 5 12:53:29 CEST 2013
On Fri, 2013-04-05 at 14:31 +0530, Krishna chaitanya wrote:
> configure:3970: WARNING: parallel compiler mpif90 uses gfortran, but
> serial compiler ifort was detected
> configure:3972: WARNING: assuming F90=gfortran, discarding ifort
so it's compiled with gfortran, not intel. Recently I have heard about
a potential problem with gfortran+MKL that might explain your error.
Go into the make.sys file, locate line starting with "BLAS_LIBS".
If it looks like this:
BLAS_LIBS = -lmkl_intel_lp64 -lmkl_sequential -lmkl_core
change it as follows
BLAS_LIBS = -lmkl_gf_lp64 -lmkl_sequential -lmkl_core
remove all executable (*.x) files, recompile
P.
--
Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
More information about the users
mailing list