[DFTB-Plus-User] Generating DOS error

Sarah Gamal s.abouelhasab at gmail.com
Sun Dec 2 09:16:08 CET 2018


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/
>>
>>
>> _______________________________________________
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>> DFTB-Plus-User at mailman.zfn.uni-bremen.de
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>
>
>
> _______________________________________________
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>
>
> --
>       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
>
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