Re: [ESPResSo] question

[Olaf Lenz]

Hello!

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:
> /tmp/mpd2.console_root_090308.150954_11755
>     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

        --without-mpi

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


Olaf