Re: Geometry optimation problem

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Re: Geometry optimation problem

From: Marcel Swart <m.swart_at_email.domain.hidden>
Date: Thu, 27 Jan 2005 17:00:56 +0100
X-Mailer: Apple Mail (2.553)

On Thursday, Jan 27, 2005, at 03:26 Europe/Amsterdam, Wang Bingwu wrote:

> Dear adf users,
>
> I did some geometry optimation jobs for a large molecule has 130
> atoms.It
> always stopped with the following error message:
> -----------------------------------------------------------------------
> ----
> STOP RECEIVED FROM 1048577
> MESSAGE: STOP RECEIVED from 786433 , tag= 3347

This is the actual error message coming from another PVM node, which
for some
unknown reason had to stop; if you look back in the output, you can
relate the
number (1048577 or 786433) to a specific node. Maybe you can look in
the logfiles
on one of those nodes to see what's wrong.

––––––––––––––––––––––––––––––––––––––––––––
dr. Marcel Swart

Theoretische Chemie
Vrije Universiteit Amsterdam
Faculteit der Exacte Wetenschappen
De Boelelaan 1083
1081 HV Amsterdam
The Netherlands

E-mail m.swart_at_few.vu.nl
Web http://www.few.vu.nl/~swart
––––––––––––––––––––––––––––––––––––––––––––
3-30 January 2005:

Institut de Química Computacional
Universitat de Girona
Campus Montilivi
17071 Girona, Catalunya (Spain)

http://iqc.udg.es
––––––––––––––––––––––––––––––––––––––––––––
Received on 2005-01-27 17:01:21

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