[DFTB-Plus-User] Errors in installation of DFTB+

veerpal kaur dhiman v.veerpal.h at gmail.com
Tue May 27 11:31:56 CEST 2014


Dear sir,

        I am not able to sort out the errors which occured during the
installation of DFTB+. I am trying to install it in Ubuntu OS. I am using
make.x86_64-linux-gfortran file and the make file i used is as follows:

# -*- makefile -*-
############################################################################
# System dependent Makefile options for
# Linux, gfortran (4.4.3) + Atlas (3.6.0)
############################################################################

# Fortran 90 compiler
FC90 = gfortran

# Options for the Fortran 90 compiler
FC90OPT = -O2 -openmp -funroll-all-loops -fall-intrinsics

# Preprocessor (leave empty, if the compiler has a built in preprocessor)
CPP = cpp -traditional

# Options for preprocessing
CPPOPT = -DDEBUG=$(DEBUG) #-DEXTERNALERFC

# Postprocessing of the preprocessor output (add-on pipe)
CPPPOST = $(ROOT)/utils/fpp/fpp.sh general

# Linker
LN = $(FC90)

# Linker options
LNOPT = -static

# Override options for different DEBUG modes
ifeq ($(DEBUG),1)
    FC90OPT = -g -Wall -std=f2003 -pedantic -fall-intrinsics -fbounds-check
endif
ifeq ($(DEBUG),2)
    FC90OPT = -g -Wall -std=f2003 -pedantic -fall-intrinsics -fbounds-check
endif
ifeq ($(DEBUG),3)
    FC90OPT = -g -Wall -std=f2003 -pedantic -fall-intrinsics -fbounds-check
endif

# Library options in general
ATLASDIR = /home/gagan/lapack-3.5.0
LIBOPT = -L/home/gagan/lapack-3.5.0

# How to link specific libraries
LIB_LAPACK = -llapack
LIB_BLAS = -lf77blas -lcblas -latlas
# Threaded version may work as well
# LIB_BLAS = -lptf77blas -lptcblas -latlas

 and the errors i got  are:

/usr/bin/ld: cannot find -lf77blas
collect2: ld returned 1 exit status
make[1]: *** [dftb+] Error 1
rm qm.f90 md_integrator.f90 slako_eq_grid.f90 short_gamma.f90
thirdorder.f90 spin.f90 taggedout.f90 geoopt.f90 disp_common.f90 mainio.f90
dftb+.f90 formatout.f90 bisection.f90 mixer_adt.f90 inputdata_.f90 fifo.f90
rep_poly.f90 memman.f90 diis_mixer.f90 sort.f90 md_common.f90 disp_uff.f90
type_geometry.f90 densitymatrix.f90 fact.f90 shift.f90 etemp.f90
dftb_pls_u.f90 eigensolver.f90 andersen_thermostat.f90 extcharge.f90
constraints.f90 intrinsicpr.f90 ext_erfc.f90 spinorbit.f90 stressTensor.f90
initprogram.f90 unitconversion.f90 dispersion.f90 orbital_equiv.f90
xmlutils.f90 nhc_thermostat.f90 sk.f90 wrapped_pointers.f90 forces.f90
repulsive.f90 accuracy.f90 blasroutines.f90 hsdparser.f90
lapackroutines.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 linmin.f90 disp_slaterkirkwood.f90 hermite.f90
potentials.f90 tokenreader.f90 broyden_mixer.f90 disp_uff_data.f90
parser.f90 message.f90 scc.f90 thermostat.f90 angmomentum.f90 nonscc.f90
numericalDerivs.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
scc_init.f90 simple_mixer.f90 stepdesc.f90 rep_cont.f90 allocate.f90
fileid.f90 coulomb.f90 constants.f90 interpolation.f90 anderson_mixer.f90
ranlux.f90
make[1]: Leaving directory
`/home/gagan/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.

I will be very thankful to you .

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