[DFTB-Plus-User] Compilation of DFTB+ version 1.3

Ljiljana Stojanovic stojanovicmljiljana at gmail.com
Wed Dec 7 18:59:39 CET 2016

Dear DFTB+ developers,

I was trying to compile the new version of DFTB+ code (1.3), but I am
getting some error messages. I was wandering if you could please help me a
little bit with compilation.

As suggested in the documentation, I tried to compile the code with ifort
12.1 and ifort 14.0.4, but also with gortran-4.8 and gfortran-4.4. I get
the same error message in all the cases. It occurs in the part where
external libraries are compiled. During the compilation the Makefile.dpint
file is invoked form the folder
/dftbplus-1.3.0/src/prg_dftb/../../extlib/dftd3/, but this folder does not
exist. I modified Makefile.common and defined EXTLIB_SRCDIR as
/dftbplus-1.3.0/src/prg_dftb/, and tried to invoke makefiles from this
folder, but I still get some error messages.

Below  is the part of the log file where error message (with ifort-12.1)
with the standard makefile is printed (I am also attaching the complete log
file of the compilation.).

Please, if you have any suggestions how to resolve this error, it would be
very helpful for me.

Thanks a lot.

Best regards,

ifort -O2 -qopenmp -ip -standard-semantics -I./_dir_extlib_xmlf90
-I./_dir_extlib_fsockets -I./_dir_extlib_dftd3 -o disp_uff.o -c disp_uff.f90
mkdir -p _dir_extlib_dftd3
make -C _dir_extlib_dftd3 \

SRCDIR=/scratch/lstojanov/dftbplus-1.3.0/src/prg_dftb/../../extlib/dftd3 \


make[2]: Entering directory
make[2]: Leaving directory
rm rep_poly.f90 geoopt.f90 rep_cont.f90 dummy_thermostat.f90 fifo.f90
disp_uff_data.f90 diis_mixer.f90 lapackroutines.f90 sort.f90
short_gamma.f90 coulomb.f90 lapack.f90 slako_eq_grid.f90 eigensolver.f90
extcharge.f90 conjgrad.f90 disp_common.f90 message.f90 interpolation.f90
md_common.f90 periodic.f90 arpack.f90 linmin.f90 constants.f90 fileid.f90
sk.f90 stepdesc.f90 accuracy.f90 qm.f90 dispersion_iface.f90 allocate.f90
memman.f90 linkedlist.f90 charmanip.f90 mainio.f90 disp_slaterkirkwood.f90
scc.f90 error_function.f90 taggedout.f90 stressTensor.f90 nonscc.f90
bisection.f90 slako_cont.f90 common_types.f90 linresp.f90
charge_constraints.f90 diis.f90 shift.f90 simple_algebra.f90
linresp_grad.f90 linresp_common.f90 disp_uff.f90 blasroutines.f90
sparse2dense.f90 rep_spline.f90 blas.f90 ranlux.f90
make[1]: Leaving directory
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