[DFTB-Plus-User] How to install and compile DFTB+

veerpal kaur dhiman v.veerpal.h at gmail.com
Wed May 21 08:41:41 CEST 2014


Dear sir,
       i have probem with compiling DFTB+ on my machine kernel Linux
2.6.32-44-generic with gfortran . Errors which occur during installation
are :
make[1]: *** [dftb+] Error 1
rm lapackroutines.f90 qm.f90 md_integrator.f90 slako_eq_grid.f90
short_gamma.f90 geoopt.f90 disp_common.f90 tokenreader.f90 intrinsicpr.f90
repulsive.f90 dftb+.f90 formatout.f90 inputdata_.f90 bisection.f90 fifo.f90
ranlux.f90 rep_poly.f90 scc_init.f90 memman.f90 diis_mixer.f90 sort.f90
xmlutils.f90 md_common.f90 disp_uff.f90 type_geometry.f90 fact.f90
shift.f90 etemp.f90 dftb_pls_u.f90 eigensolver.f90 andersen_thermostat.f90
extcharge.f90 stressTensor.f90 initprogram.f90 broyden_mixer.f90
orbital_equiv.f90 unitconversion.f90 dispersion.f90 nhc_thermostat.f90
sk.f90 ext_erfc.f90 linmin.f90 spinorbit.f90 accuracy.f90 mixer_adt.f90
hermite.f90 hsdparser.f90 old_sk_data.f90 eigenvects.f90
type_geometry_hsd.f90 berendsen_thermostat.f90 linkedlist.f90
velocity_verlet.f90 charmanip.f90 hsdutils.f90 energies.f90 scc.f90
numericalDerivs.f90 disp_slaterkirkwood.f90 potentials.f90
disp_uff_data.f90 mainio.f90 parser.f90 message.f90 taggedout.f90
blasroutines.f90 thermostat.f90 angmomentum.f90 constraints.f90 forces.f90
wrapped_pointers.f90 nonscc.f90 populations.f90 periodic.f90 hsdutils2.f90
temp_profile.f90 oldcompat.f90 slako_cont.f90 charge_constraints.f90
simple_algebra.f90 general_list.f90 stringlist.f90 rep_spline.f90
common_types.f90 dummy_thermostat.f90 conjgrad.f90 sparse2dense.f90
simple_mixer.f90 thirdorder.f90 densitymatrix.f90 stepdesc.f90 rep_cont.f90
allocate.f90 fileid.f90 coulomb.f90 constants.f90 interpolation.f90
spin.f90 anderson_mixer.f90
make[1]: Leaving directory
`/home/gagan/Desktop/dftb+_1.2.2_src/prg_dftb/_obj_x86_64-linux-gfortran'
make: *** [_obj_x86_64-linux-gfortran] Error 2


please tell me any solution of this problem if you have any idea.

Yours sincerely,
Veerpal Kaur ,
Physics Department,
Panjab University ,
Chandigarh.



On Wed, May 21, 2014 at 12:06 PM, veerpal kaur dhiman <v.veerpal.h at gmail.com
> wrote:

> Dear sir,
>        i have probem with compiling DFTB+ on my machine kernel Linux
> 2.6.32-44-generic
>
>
> On Fri, May 16, 2014 at 6:03 PM, Bálint Aradi <
> balint.aradi at bccms.uni-bremen.de> wrote:
>
>> >          Thanks for your reply . Sir  i have tried to find precompiled
>> > binary from DFTB+ website but i can'nt find it . plzzz can you tell me
>> > from where i can download precompiled binary. Actually sir there is no
>> > one using DFTB+ in my department who could help me . So i need your help
>> > at each step.
>>
>> Look for "executable x86_64-linux" at the download page:
>>
>> http://www.dftb-plus.info/download/dftb_12/download_page/
>>
>> You must be logged in on the website to access this page.
>>
>>   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 dftb-plus.info
>> http://www.dftb-plus.info/mailman/listinfo/dftb-plus-user
>>
>>
>
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