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Antonio Carlos Borin
ancborin@iq.usp.br

Thank you for your explanation.

I installed MPICH2 (http://www.mpich.org/ ; mpich2-1.5rc3).

Now, I issued the following command:

mpirun -np 2 firefly8.mpich2.ex -i EXAM09.INP -ex /home/ancborin/ff8_rc40_linux -o exam09.out -f

The new problem: firefly8.mpich2.ex: error while loading shared libraries: libmpich.so: cannot open shared object file: No such file or directory

I thought libmpich.so would be installed during the installation of mpich. I also set library path to LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/home/ancborin/mpich2-install/lib

I know this this has nothing to do with firefly; but I would appreaciate any help, if possible.

Best,
Antonio

On Sun Mar 31 '13 4:45am, Alex Granovsky wrote
----------------------------------------------
>Dear Antonio,
>Dear Luca,

>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/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A somewhat outdated instruction on Firefly with MPICH1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.htmlhttp://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.htmlhttp://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