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Re: [ESPResSo] question

From: Olaf Lenz
Subject: Re: [ESPResSo] question
Date: Sun, 08 Mar 2009 16:00:53 +0100
User-agent: Thunderbird (X11/20090105)


sarah wrote:
I've installed suse 11.1 on my computer and then Espresso 2.1.0.
Espresso is installed successfully and there appear the "espresso" command
in my command line but when I run it there is an error which I can not
improve. here is the error:
mpdroot: cannot connect to local mpd at:
    probable cause:  no mpd daemon on this machine
    possible cause:  unix socket
/tmp/mpd2.console_root_090308.150954_11755 has been removed
mpdallexit (__init__ 1156): forked process failed; status=255

Would you please help me with this error?

This looks as though ESPResSo has automatically recognized the intel MPI library (required for parallel simulations) on your machine and was able to compile ESPResSo. However, not all machines and not all MPI implementations allow to run an MPI program as if it was a "normal" program.

Are you in any way connected to Narges Nikoofard? He comes from the same site as you, and I recently had a lengthy mail exchange with him. He apparently also had some problems with the Intel MPI library. Probably you can find a solution together?

None of us around here has any experience with the intel MPI library, so we can't help you with that. You basically have three options:

1. Learn how to run mpi programs in your environment. This should be in the documentation of the intel MPI library. Most probably, it involves something like "mpirun". Also, you will have to look into the script "Espresso", where the correct usage of MPI has to be added. Please have a look at the Users guide in the chapter on installation, that contains some information that might help you.

2. You can install another MPI environment on your machine, e.g. OpenMPI. It is free to download and simple to install, and it might even be included in the Suse 11 distribution. When using OpenMPI, ESPresSo should run out of the box.

3. You can use ESPResSo completely without MPI. Just configure espresso with the option


compile it, and espresso should run without MPI - but of course also not in parallel.


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