[DFTB-Plus-User] Generating DOS error

[Sarah Gamal]

It's installed well now.
But when I try to generate DOS file I get the same error:

Traceback (most recent call last):
  File "/usr/local/bin/dp_dos", line 183, in <module>
    main()
  File "/usr/local/bin/dp_dos", line 112, in main
    bandout = BandOut.fromfile(infile)
  File "/usr/local/lib/python2.7/dist-packages/dptools/bandout.py", line
79, in fromfile
    nkpt = len(eigvalarrays) / nspin
ZeroDivisionError: integer division or modulo by zero

On Sun, Dec 2, 2018 at 2:17 PM Ben Hourahine <
benjamin.hourahine at strath.ac.uk> wrote:

> 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> 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>
>> 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
>>> https://mailman.zfn.uni-bremen.de/cgi-bin/mailman/listinfo/dftb-plus-user
>>
>>
>>
>> _______________________________________________
>> DFTB-Plus-User mailing listDFTB-Plus-User at mailman.zfn.uni-bremen.dehttps://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
>>
>> _______________________________________________
>> 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
>
>
>
> _______________________________________________
> DFTB-Plus-User mailing listDFTB-Plus-User at mailman.zfn.uni-bremen.dehttps://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
>
> _______________________________________________
> 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
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