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Alex Granovsky
gran@classic.chem.msu.su

As of November 2012, the MPICH2 project renamed itself
to simply "MPICH". MPICH v3.0 implements the MPI-3.0 standard.

MPICH 3.x was derived from MPICH2 (now MPICH), not from MPICH
(let us call it MPICH1). It has nothing to do with MPICH 1.X :(

To be more precise, old good MPICH 1.X could now be
more correctly called MPICH1, while MPICH 3.X could
be named MPICH3 or at least MPICH2 but is renamed
to be simply MPICH.

Antonio, you are using MPICH1 binaries with MPICH2 (or MPICH3 :) )
You cannot do that. You should always use the same MPI
implementation with which Firefly was linked.

There are mpich2-linked binaries in the RC archive.
You can install and use MPICH2 with these binaries.
MPICH2 distribution is available here

http://www.mpich.org/


Alternatively, you can use plain old MPICH1 binaries.
In this case you do not need anything (except for cleanipcs
script which will be of great help to you. This script can
be found on the web). You also need to create procgrp file
as indicated by Luca.

A somewhat outdated instruction on Firefly with MPICH1
can be found here:

http://classic.chem.msu.su/gran/gamess/linux_mpich.html


One can still find old MPICH1 fles here:

http://www.mcs.anl.gov/research/projects/mpi/mpich1-old/download.html


Hope this helps.

Kind regard,
Alex



On Thu Mar 28 '13 11:40pm, Antonio Carlos Borin wrote
-----------------------------------------------------
>Thank you, Luca.

>Itīs running in serial mode, but not in parallel (even with procgrp). Maybe, there is something wrong with mpi. I need to verify.

>Best
>Antonio