[DFTB-Plus-User] dftb-plus autotest failed

[Ben Hourahine]

Hello Song,

If

ls autotest/slako/

looks like:

hyb-0-1  mio-0-1  pbc-0-1

then I'm not sure why the autotests fail and need more information.
Can you send me the files _autotest/stderror.log and  _autotest/tagdiff.log
directly (instead of to the list) ?

Regards

Ben

Duo SONG wrote:
> Dear all dftb-plus users,
>
> Happy Holidays! I have some problems when running my dftb-plus. After 
> I issued "make test" in prg_dftb, none of those programs ran.
> TEST SUMMARY
> ------------------------------------------------------------------------------
> Match:
>     None
>
> Not run:
>     non-scc/Si_2                        spin/H2O
>     non-scc/GaAs_2                      spin/H2O-periodic
>     non-scc/HBDI-neutral                spin/GaAs_2
>     non-scc/HBDI-cationic               spin/H2
>     non-scc/decapentaene                geoopt/H2O
>     non-scc/10-0Ctube                   geoopt/H2O-constr
>     non-scc/10-10Ctube                  geoopt/H2O-nonscc
>     non-scc/Si41C23N35                  geoopt/Vsi+O-nonscc
>     non-scc/Si_384                      geoopt/Vsi+O
>     non-scc/Si_216                      md/Si_8
>     scc/GaAs_2                          md/H3
>     scc/SiC_64                          md/Si_8-thermostat
>     scc/C60                             md/Si_8-thermostat2
>     scc/H3                              md/Si_8-tempprofile
>     scc/H2O-extchrg                     dispersion/2H2O
>     scc/H2O-extchrg-periodic            dispersion/DNA
>     scc/H2O-extchrg-blur
> ------------------------------------------------------------------------------
> Status: FAIL
> ------------------------------------------------------------------------------
> Details in:
>     _autotest/stderror.log
>     _autotest/tagdiff.log
> ==============================================================================
> make[1]: *** [test] Error 1
> make[1]: Leaving directory 
> `/para3/dsong/dftb-plus/src/prg_dftb/_obj_i686-linux-ifort'
> make: *** [_obj_i686-linux-ifort] Error 2
>
> I do not know why. I have mio-0-1, pbc-0-1 and hyb-0-2 extracted in 
> the slako. Besides, I still wonder why no binary was copied in 
> prg_dftb (the manual says it is a default directory) as an error 
> report always appears as "cp: `dftb+' and `./dftb+' are the same 
> file." after I issued "make install". And I issued "dftb+", it 
> reported "command not found".
>
> Thank you very much for helping me sol
>
> -- 
> SONG Duo
> Undergraduate Student
>
> Department of Materials Science and Engineering
> University of Science and Technology of China


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