On 07/20/2012 04:59 PM, Nick Papior Andersen wrote:
SIESTA has its own interface for the MPI library which is compiled in
the subdirectory MPI. This is essentially where module MPI_SIESTA lives.
The MPI_INCLUDE is an include path for the SIESTA MPI routines to the
MPI_SIESTA module. See MPI/Makefile for its use. Therefore it should
point to the SIESTA MPI library path. (which is "." in that folder).
SIESTA is currently not built for utilising the module files for any F90
compliant MPI interfaces. And it does not matter as the interface is the
same.
Thanks a lot for all of you here, Nick and others.
BTW, Could you please give a worked example arch.make used for your
case with siesta-3.1/siesta-trunk-408, Nick Papior Andersen?
In addition, the following website can give us the suggestions on how
to set the MKL lines in the arch.make file:
http://software.intel.com/en-us/articles/intel-mkl-link-line-advisor/
Regards
--
Hongyi Zhao <[email protected]>
Institute of Semiconductors, Chinese Academy of Sciences
GnuPG DSA: 0xD108493
