anna.marabotti at isa.cnr.it
Fri Feb 22 13:34:28 CET 2008
Dear GMX-developers (in particular dear Carsten Kutzner),
to overcome problems in making parallel runs with GROMACS on a Linux cluster with Gigabit Ethernet
interconnection, I downloaded the package gmx_all-to-all to speed up the processes. In the
instructions, however, this package is indicated for GROMACS version 3.3.1, whereas in our cluster
we installed the 3.3.2 version. Is gmx_alltoall compatible also with this version?
Another question: if we will upgrade to GROMACS 4 when it will be released, are you expecting that
(nearly) all problems in parallelizazion will be solved or this package will be still
Many thanks in advance and best regards
Anna Marabotti, Ph.D.
Laboratorio di Bioinformatica e Biologia Computazionale
Istituto di Scienze dell'Alimentazione, CNR
Via Roma 52 A/C
83100 Avellino (Italy)
Tel: +39 0825 299651
Fax: +39 0825 781585
E-mail: amarabotti at isa.cnr.it
Web page: http://bioinformatica.isa.cnr.it/anna.htm
"If you think you are too small to make a difference, try sleeping with a mosquito"
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