Hi, Paul This is Pablo Ordejon. We had some communications a few months ago, when I tried to install the parallel version of Siesta in your cluster.
If you remember, I faced the same problems you are finding now. I asked you to install again the MPI libraries, with support for f90. You just patched the f77 drivers, and this is not enough. The first thing you MUST do is to compile the MPI libraries with explicit support for f90. That means including the f90 option in the configuration of MPI, specifying your f90 compiler. This should generate a mpif90 driver, which is the one that will be able to compile f90 programs which include MPI stuff. THEN, you need to compile the BLACS and LAPACK libraries, with MPI. And test that they work properly in parallel. Only when these steps are done, and you are sure that LAPACK works properly, should you start compiling SIESTA. Good luck, Pablo. PS: Yes, Siesta does run in parallel on Intel with Linux and MPI.
I received no answers to my last set of questions, so I'll cut down the questions to a single, simple question. Is there anyone, anywhere in the world, who has successfully compiled siesta to run on Intel architecture Linux with MPI? If this proves to be possible, I will inquire further about their environment, but for the moment, I will happily settle for confirmation that it is possible at all. Thanks very much, Paul -- Paul Neubauer Sr. Systems Consultant University Computing Services Ball State University Muncie, IN 47306 USA (765)285-1936 [EMAIL PROTECTED]
-- ---------------------------------------------------------------------------- Dr. Pablo Ordejon Institut de Ciencia de Materials de Barcelona - CSIC Campus de la U.A.B. 08193 Bellaterra, Barcelona (Spain) Phone: +34 93 5801853 Ext. 274 Fax: +34 93 5805729 Email: [EMAIL PROTECTED]
