[DFTB-Plus-User] Generating DOS error

[Ben Hourahine]

After editing the make.config file to set

WITH_ARPACK := 0

Did you then issue the command


make distclean


before recompiling?


Regards

Ben

On 02/12/18 08:16, Sarah Gamal wrote:
> I got the same this error again
>
> linrespgrad.o: In function
> `__linrespgrad_MOD_buildanddiagexcmatrix.constprop.2':
> linrespgrad.f90:(.text+0x18f6): undefined reference to `dsaupd_'
> linrespgrad.f90:(.text+0x1ac3): undefined reference to `dseupd_'
> collect2: error: ld returned 1 exit status
> /home/sarah/Desktop/dftbplus/prog/dftb+/make.build:28: recipe for
> target 'dftb+' failed
> make[1]: *** [dftb+] Error 1
> make[1]: Leaving directory
> '/home/sarah/Desktop/dftbplus/_build/prog/dftb+'
> makefile:57: recipe for target 'dftb+' failed
> make: *** [dftb+] Error 2
>
>
> On Sat, Dec 1, 2018 at 1:51 PM Ben Hourahine
> <benjamin.hourahine at strath.ac.uk
> <mailto:benjamin.hourahine at strath.ac.uk>> wrote:
>
>     Hello Sarah,
>
>     unless you need to calculate excited states, disable WITH_ARPACK
>     in make.config and then
>
>     make distcleanclean
>
>     before recompiling. Otherwise you will need to install either
>     ARPACK or ARPACK-ng (as per the INSTALL.rst instructions).
>
>     Regards
>
>     Ben
>
>
>     On 01/12/18 11:03, Sarah Gamal wrote:
>>     Dear Bálint,
>>     When I try to install the last release I get this error:
>>
>>     /usr/bin/ld: cannot find -larpack
>>     collect2: error: ld returned 1 exit status
>>     /home/sarah/Desktop/dftbplus/prog/dftb+/make.build:28: recipe for
>>     target 'dftb+' failed
>>     make[1]: *** [dftb+] Error 1
>>     make[1]: Leaving directory
>>     '/home/sarah/Desktop/dftbplus/_build/prog/dftb+'
>>     makefile:57: recipe for target 'dftb+' failed
>>     make: *** [dftb+] Error 2
>>
>>
>>     On Fri, Nov 30, 2018 at 11:38 AM Bálint Aradi
>>     <aradi at uni-bremen.de <mailto:aradi at uni-bremen.de>> wrote:
>>
>>         Dear Sarah,
>>
>>         > I am trying to generate DOS file through the command
>>         > "dp_dos band.out dos.dat"
>>
>>         Which version of DFTB+ do you use? And which kind of system
>>         do you
>>         calculate?
>>
>>         We had a bug in dptools earlier, but this should have been
>>         fixed in the
>>         lastest DFTB+ release. So please try the most recent DFTB+
>>         release
>>         (18.2). If bug is still there, could you please send me your self
>>         contained input, so that I can check it?
>>
>>           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/
>>
>>
>>         _______________________________________________
>>         DFTB-Plus-User mailing list
>>         DFTB-Plus-User at mailman.zfn.uni-bremen.de
>>         <mailto:DFTB-Plus-User at mailman.zfn.uni-bremen.de>
>>         https://mailman.zfn.uni-bremen.de/cgi-bin/mailman/listinfo/dftb-plus-user
>>
>>
>>
>>     _______________________________________________
>>     DFTB-Plus-User mailing list
>>     DFTB-Plus-User at mailman.zfn.uni-bremen.de
>>     <mailto:DFTB-Plus-User at mailman.zfn.uni-bremen.de>
>>     https://mailman.zfn.uni-bremen.de/cgi-bin/mailman/listinfo/dftb-plus-user
>
>     -- 
>           Dr. B. Hourahine, SUPA, Department of Physics,
>         University of Strathclyde, John Anderson Building,
>                 107 Rottenrow, Glasgow G4 0NG, UK.
>         +44 141 548 2325, benjamin.hourahine at strath.ac.uk
>     <mailto:benjamin.hourahine at strath.ac.uk>
>
>     2013/4 THE Awards Entrepreneurial University of the Year
>           2012/13 THE Awards UK University of the Year
>
>        The University of Strathclyde is a charitable body,
>             registered in Scotland, number SC015263
>
>     _______________________________________________
>     DFTB-Plus-User mailing list
>     DFTB-Plus-User at mailman.zfn.uni-bremen.de
>     <mailto:DFTB-Plus-User at mailman.zfn.uni-bremen.de>
>     https://mailman.zfn.uni-bremen.de/cgi-bin/mailman/listinfo/dftb-plus-user
>
>
>
> _______________________________________________
> DFTB-Plus-User mailing list
> DFTB-Plus-User at mailman.zfn.uni-bremen.de
> https://mailman.zfn.uni-bremen.de/cgi-bin/mailman/listinfo/dftb-plus-user

-- 
      Dr. B. Hourahine, SUPA, Department of Physics,
    University of Strathclyde, John Anderson Building,
            107 Rottenrow, Glasgow G4 0NG, UK.
    +44 141 548 2325, benjamin.hourahine at strath.ac.uk

2013/4 THE Awards Entrepreneurial University of the Year
      2012/13 THE Awards UK University of the Year

   The University of Strathclyde is a charitable body,
        registered in Scotland, number SC015263

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20181202/b7e85574/attachment.htm>