[DFTB-Plus-User] RE Ben: Error message of "severe (174): SIGSEGV, segmentation fault occurred"

#WU XING# WU0008NG at ntu.edu.sg
Tue Dec 2 12:13:20 CET 2008

Dear Ben Hourahine,

Thank for your suggestion. 

Yes I am using MPIrun, and the code is as the following:

Best regards.
Wu Xing


Message: 2
Date: Mon, 01 Dec 2008 18:39:55 +0000
From: Ben Hourahine <benjamin.hourahine at strath.ac.uk>
Subject: Re: [DFTB-Plus-User] Error message of "severe (174): SIGSEGV,
	segmentation fault occurred"
To: User list for DFTB+ related questions
	<dftb-plus-user at dftb-plus.info>
Message-ID: <49342F7B.2070301 at strath.ac.uk>
Content-Type: text/plain; charset=ISO-8859-1

Hello WU Xing,

I would like to add to B?lint's comment, that you also appear to be
running in parallel (there is some message about 'nodes=2:ppn=2' in part
of the error stream). Is this a shared memory machine, or are you using
something like mpirun?

In either case, I would suggest you try using a serial run with only a
single processor as a first attempt. 300 atoms is quite a small system
(unless you have many d or f electron atomic species), so you may even
be able to be run completely in serial.



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