MPI version of Gibbs

From: ramon kleber da rocha <>
Date: Mon 3 Dec 2001 15:18:04 -0200 (BDB)

        Dear all,
        I have seen some questions about MPI version of Gibbs on that
mailing list. It seems that there is a doubt if it is available or not.
That doubt is because one can read on install documentation provided and
on the address the following
statement about amber release 6.0:

This release supports both shared memory (fortran directives) and message
passing (MPI) code for sander and gibbs for particular architectures.

        But, when I submit my job on a IBM SP2 machine after compile using
the MPI directives I got the error message:

MPI version of gibbs is currently disabled.

        So, it would be nice if anyone could give us a definitive answer
about this question.

        Besides, I have a choise to install gibbs and sander on a Sun's
Starfire with 32 processors runing shared memory. To do that I have to
create my own machine file, since it is provided only for SGI and Cray.
I'd like to get hints about how to do that.

        Thank you in advance,
Ramon Kleber da Rocha, MSc. VOICE +55-31-3499-5765
e-mail FAX +55-31-3499-5700

Laboratorio de QSAR e Modelagem Molecular
Nucleo de Estudos em Quimica Medicinal - NEQUIM -
Departamento de Quimica - Universidade Federal de Minas Gerais - (DQ/ICEx/UFMG)

The World is my Fatherland, Science is my Religion. Christiaan Huygens 1629-1695
Received on Mon Dec 03 2001 - 09:18:04 PST
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