[DFTB-Plus-User] DFTB+ compilation error

Mingtao Li mingtao.li at gmail.com
Wed Aug 14 06:45:48 CEST 2013


To run the dftb+ calculations in background is not a dftb problem. It is a
problem about linux. You can find a solution in any linux tutorial. Just
try "nohup dftb > dftb.out 2> dftb.error &".




2013/8/13 SK Mahasin Alam (Dr) <SKMA at ntu.edu.sg>

> Dear Dr. Aradi Balit,
>
> Thank you for your reply. I had problem with compiler. Now I have
> successfully compiled the DFTB+ code in our Linux cluster  (ARCH=x86_64)
> using "ifort" compiler and have successfully run few small jobs (diamond,
> benezene).
>
> Is there any script file to run the dftb+ calculations in background?
> Thank you.
>
> Warm regards
>
> Mahasin
>
> ________________________________________
> From: dftb-plus-user-bounces at dftb-plus.info [
> dftb-plus-user-bounces at dftb-plus.info] On Behalf Of Bálint Aradi [
> balint.aradi at bccms.uni-bremen.de]
> Sent: Tuesday, August 13, 2013 5:22 PM
> To: User list for DFTB+ related questions
> Subject: Re: [DFTB-Plus-User] DFTB+ compilation error
>
> Dear Mahasin,
>
> >
> > I am compiling DFTB+ code in our linux cluster. During compilation using
> "make" command I am getting the following errors. Can any one help me to
> resolve this problem? Thanks a lot for you help.
>
> Something seems to go quite wrong there. Could you tell us which
> compiler you use, and also past in the command line shown before the
> error message (so that we can see with which options your compiler is
> invoked.)
>
>   Best regards,
>
>   Bálint
>
> --
> Dr. Bálint Aradi
> Bremen Center for Computational Materials Science, University of Bremen
> http://www.bccms.uni-bremen.de/cms/people/b_aradi/
>
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-- 
**********************************************************************
Mingtao Li,     Ph.D
State Key Laboratory of Multiphase Flow in Power Engineering
School of Energy and Power Engineering, Xi'an Jiaotong University
No.28, Xianning West Road, Xi'an, Shaanxi, 710049, P.R. China
Tel: +86-29-82668296-11                      Fax: +86-29-82669033
E-mail: mingtao dot li at gmail dot com
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