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[ESPResSo] Re: Re: Parallel Simulations and System Initialization

From: Lorenzo Isella
Subject: [ESPResSo] Re: Re: Parallel Simulations and System Initialization
Date: Tue, 05 Feb 2008 23:16:59 +0100
User-agent: Mozilla-Thunderbird (X11/20080110)

And thanks for the suggestions.
As to the infiniband-adaptor, I am really in a bad shape (had to google it up and not sure I understand what that stands for). For now, I have re-compiled Espresso with the --without-mpi option. However, does this infiniband thing mean that even if I managed to set up properly the environment for the parallel libraries, they would not work on my machine in the present situation? And a final question (definitely not entirely related to Espresso): my first target would be to make use of the 2 dual-core processors (actually, 4 CPU's) available on my desktop machine. Any specific recommendation for a tutorial for an absolute beginner in this field to use e.g. OpenMPI on a single multi-core machine rather than a cluster?


There are two packages that Espresso is known to work with: LAM/MPI and MPICH. However, this will not solve your problems: LAM also requires you to prepare your computer for parallel runs; this has nothing to do with Espresso itself, but is a requirement of the parallel library. In case of LAM, for example, you need to execute lamboot before running your application, and lamhalt after running it. I think MPICH has a mode that does not require an external daemon, but is typical less performant than LAM.

The error that you obtain from LAM regarding "OpenIB" indicates that somehow your OpenMPI installation tries to use an non-existing infiniband-adaptor. Maybe you first want to check why OpenMPI wants to use Infiniband...

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