[Top][All Lists]
[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]
Re: [ESPResSo] how to use nemd
From: |
Torsten Stuehn |
Subject: |
Re: [ESPResSo] how to use nemd |
Date: |
Tue, 23 Mar 2010 12:23:57 +0100 |
User-agent: |
Thunderbird 2.0.0.23 (X11/20090812) |
Dear Guillaume,
the NEMD feature does only work, if you start ESPResSo with one CPU only.
It does not run in parallel. The number of CPUs can be given to the
ESPResSo start script as a second parameter:
# Espresso <your-tcl-script> 1
Greetings,
Torsten
Guillaume Larsen wrote:
dear all,
i am experiencing difficulties using the non-equilibrium MD (NEMD)
feature of ESPResSo.
Trying to initialize the feature with the command "nemd shearrate
$n_slabs $shearrate", the following message is returned: {037 NEMD is a
single node feature}
does anyone know what is problem?
Thanks in advance,
Regards
Guillaume
------------------------------------------------------------------------
Télécharger en toute sécurité sur Internet ? La solution avec Internet
Explorer 8 <http://clk.atdmt.com/FRM/go/206608211/direct/01/>
--
This email was Anti Virus checked by Astaro Security Gateway.
http://www.astaro.com
------------------------------------------------------------------------
_______________________________________________
ESPResSo mailing list
address@hidden
https://fias.uni-frankfurt.de/mailman/listinfo/espresso
--
Dr. Torsten Stühn
MPI für Polymerforschung
Ackermannweg 10
55128 Mainz / Germany
Tel. +49-(0)6131-379268
Fax +49-(0)6131-379100
EMail address@hidden