[gmx-users] gmx_alltoall

[Anna Marabotti]

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
useful/required/necessary?
Many thanks in advance and best regards
Anna Marabotti

______________________________________________
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
Skype: annam1972
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"