[DFTB-Plus-User] Compilation Problem

[Jacek Jakowski]

You should  replace  line:
LIBOPT = -L$(ATLASDIR)
with
LIBOPT =
---

Jacek



On Tue, Apr 2, 2013 at 7:43 AM, <debs at iitk.ac.in> wrote:

> Hi,
>  I am new with DFTB+ and I am trying to install it in my Ubuntu 12.04 OS.
> I am getting some error which I can not able to sort out. I am using
> make.x86_64-linux-gfortran file. I have modified the make file and it is
> given below.
>
>
> # -*- 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 = /usr/lib
> LIBOPT = -L$(ATLASDIR)
>
> # How to link specific libraries
> LIB_LAPACK = -llapack
> LIB_BLAS = -lblas
> # Threaded version may work as well
> # LIB_BLAS = -lptf77blas -lptcblas -latlas
>
>
>
> The error is given below.
>
> /usr/lib/libblas.a(xerbla.o): In function `xerbla_':
> (.text+0x0): multiple definition of `xerbla_'
> /usr/lib/liblapack.a(xerbla.o):(.text+0x0): first defined here
> collect2: ld returned 1 exit status
> make[1]: *** [dftb+] Error 1
> rm disp_common.f90 qm.f90 md_integrator.f90 slako_eq_grid.f90
> short_gamma.f90 sk.f90 thirdorder.f90 rep_poly.f90 nhc_thermostat.f90
> geoopt.f90 tokenreader.f90 scc_init.f90 mainio.f90 intrinsicpr.f90
> dftb+.f90 formatout.f90 bisection.f90 inputdata_.f90 fifo.f90 memman.f90
> fact.f90 xmlutils.f90 sort.f90 md_common.f90 disp_uff.f90
> type_geometry.f90 densitymatrix.f90 shift.f90 etemp.f90 hsdutils.f90
> eigensolver.f90 andersen_thermostat.f90 extcharge.f90 dftb_pls_u.f90
> ext_erfc.f90 spinorbit.f90 stressTensor.f90 initprogram.f90
> broyden_mixer.f90 unitconversion.f90 dispersion.f90 orbital_equiv.f90
> angmomentum.f90 wrapped_pointers.f90 forces.f90 linmin.f90 diis_mixer.f90
> repulsive.f90 accuracy.f90 mixer_adt.f90 stringlist.f90 general_list.f90
> hermite.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 energies.f90 scc.f90
> disp_slaterkirkwood.f90 potentials.f90 disp_uff_data.f90 message.f90
> taggedout.f90 parser.f90 blasroutines.f90 thermostat.f90 constraints.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 rep_spline.f90 common_types.f90 dummy_thermostat.f90
> conjgrad.f90 sparse2dense.f90 simple_mixer.f90 stepdesc.f90 rep_cont.f90
> allocate.f90 fileid.f90 coulomb.f90 constants.f90 interpolation.f90
> spin.f90 anderson_mixer.f90 ranlux.f90
> make[1]: Leaving directory
> `/home/user/Downloads/dftb+_1.2.2_src/prg_dftb/_obj_x86_64-linux-gfortran'
> make: *** [_obj_x86_64-linux-gfortran] Error 2
>
> Thanking you in anticipation.
>                                   Regards
>                                   Deb Sankar De
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>
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