[DFTB-Plus-User] DFTB+ compilation error

SK Mahasin Alam (Dr) SKMA at ntu.edu.sg
Wed Aug 14 06:38:39 CEST 2013


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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