[DFTB-Plus-User] compiling dftbplus-1.3

mersadkhan mersadkhan at gmail.com
Mon Feb 20 06:26:17 CET 2017


Dear developers
I have a problem in installing dftbplus-1.3. the error come in below.

/home/mersadkhan/test/dftbplus-1.3.0/src/prg_dftb/../lib_dftb/disp_slaterkirkwood.F90(281): warning #6843: A dummy argument with an explicit INTENT(OUT) declaration is not given an explicit value.   [STRESS]

   subroutine getStress(this, stress)

-----------------------------^

/home/mersadkhan/test/dftbplus-1.3.0/src/prg_dftb/../utils/fpp/fpp.sh nocntln cpp -traditional -DDEBUG=0 -DWITH_ARPACK -I/home/mersadkhan/test/dftbplus-1.3.0/src/prg_dftb/../lib_dftb/ -I/home/mersadkhan/test/dftbplus-1.3.0/src/prg_dftb/../includes /home/mersadkhan/test/dftbplus-1.3.0/src/prg_dftb/../lib_dftb/disp_uff.F90 > disp_uff.f90

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 \

           -f /home/mersadkhan/test/dftbplus-1.3.0/src/prg_dftb/../../extlib/dftd3/Makefile.dpint \

           SRCDIR=/home/mersadkhan/test/dftbplus-1.3.0/src/prg_dftb/../../extlib/dftd3 \

           OBJDIR=/home/mersadkhan/test/dftbplus-1.3.0/src/prg_dftb/_obj_x86_64-linux-intel/_dir_extlib_dftd3 \

           STAMPFILE=/home/mersadkhan/test/dftbplus-1.3.0/src/prg_dftb/_obj_x86_64-linux-intel/_extlib_dftd3

make[2]: Entering directory `/home/mersadkhan/test/dftbplus-1.3.0/src/prg_dftb/_obj_x86_64-linux-intel/_dir_extlib_dftd3'

make[2]: /home/mersadkhan/test/dftbplus-1.3.0/src/prg_dftb/../../extlib/dftd3/Makefile.dpint: No such file or directory

make[2]: *** No rule to make target `/home/mersadkhan/test/dftbplus-1.3.0/src/prg_dftb/../../extlib/dftd3/Makefile.dpint'.  Stop.

make[2]: Leaving directory `/home/mersadkhan/test/dftbplus-1.3.0/src/prg_dftb/_obj_x86_64-linux-intel/_dir_extlib_dftd3'

make[1]: *** [_extlib_dftd3] Error 2

rm geoopt.f90 slako_cont.f90 rep_cont.f90 dummy_thermostat.f90 rep_poly.f90 disp_uff_data.f90 memman.f90 diis_mixer.f90 lapackroutines.f90 disp_slaterkirkwood.f90 sort.f90 short_gamma.f90 coulomb.f90 lapack.f90 slako_eq_grid.f90 taggedout.f90 eigensolver.f90 diis.f90 dispersion_iface.f90 extcharge.f90 conjgrad.f90 message.f90 md_common.f90 periodic.f90 arpack.f90 linmin.f90 constants.f90 fileid.f90 qm.f90 sk.f90 stepdesc.f90 accuracy.f90 allocate.f90 linkedlist.f90 charmanip.f90 disp_common.f90 scc.f90 mainio.f90 interpolation.f90 error_function.f90 fifo.f90 stressTensor.f90 nonscc.f90 bisection.f90 common_types.f90 linresp.f90 charge_constraints.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 `/home/mersadkhan/test/dftbplus-1.3.0/src/prg_dftb/_obj_x86_64-linux-intel'

make: *** [_obj_x86_64-linux-intel] Error 2

  can anyone help me please?!
-- 
- no title specified
Best regards
Mersad Mostaghimi

IRAN-Isfahan University of Technology

Quantum Simulation Of Matter Laboratory - Physics Department

National High Performance Computation Center

Mail:mersadkhan at gmail.com <mailto:Mail%3Amersadkhan at gmail.com>

Website:http://mmostaghimi.physics.iut.ac.ir/

Phone:+98-913-269-0903

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