[molpro-user] molpro + GA + scalapack?
stefan.becuwe at ua.ac.be
Fri Jul 30 07:46:13 BST 2010
> For Molpro with GA and MPI, you should build a TCGMSG-MPI version of the
> library, ie. USE_MPI=y.
Thanks for clarifying this!
> The configure script has selected intel-mpi-gfortran because it has
> found MPILIB variable to contain 'lmpigf'. The value of MPILIB is
> determined by searching through PATH for mpi* compilers and running
> -link_info etc. to try and get the linking options. Probably you have
> mpicc before mpiicc in PATH, try setting PATH to ensure the mpiicc
> appears before other mpi compilers.
Intel's mpi* wrapper scripts contain the following line:
which adds mpigf and mpigi, AFTER Intel's default mpi.
"MPI_OTHERLIBS - Other libraries needed in order to link"
mpiif, which is looked for by configure to generate "intel-mpi-ifort", is
never generated by Intel's mpi* (version 11.x, don't know about other
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