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[ESPResSo] Re: Parallel Simulations and System Initialization

From: Lorenzo Isella
Subject: [ESPResSo] Re: Parallel Simulations and System Initialization
Date: Sun, 03 Feb 2008 23:22:11 +0100
User-agent: Mozilla-Thunderbird (X11/20080110)

Thanks for the reply. Before delving into the intricacies of setting up the environmental variables in OpenMPI, I wonder if there is any parallelization library which is automatically recognized and supported by Espresso. I would like to keep it as simple as possible at this stage (also because I do not have a view of which library I should pick up right now). In other words: do you (or does anyone on the list) know a library which allows Espresso to take advantage of having 2 CPU's at its own disposal once it has been properly installed on the system? Does such a library exist as a Debian package? If the answer is not to both question, then I think I am left with learning how to set up the OpenMPI environment on my system.


Olaf Lenz wrote:

Indeed, OpenMPI is not yet directly supported by ESPResSo. This means,
that it is not automatically recognized and can't set all the necessary
environment variables and compiler flags. We should definitely add this
to ESPResSo.

Still, it is no problem to use ESPResSo with OpenMPI - many people do
so, including myself.

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