[DFTB-Plus-User] DFTB+ compiling problem

[奥野 義人]

Dear all,

Greetings. I have a problem with compiling DFTB+ on my machine: Linux Fedora 14 x86_64,
IntelMKL and Fortran95, ifort12.1 and g95

I used the following file (make.x86_64-linux-g95) located in sysmake
directory:

# -*- makefile -*-
############################################################################
# System dependent Makefile options for
# Linux, g95 (0.92) + standard lapack
############################################################################

# Fortran 90 compiler
FC90 = g95

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

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

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

# Postprocessing of the preprocessor output (add-on pipe)
CPPPOST = $(ROOT)/utils/fpp/fpp.sh noln2

# Linker
LN = $(FC90)

# Linker options
LNOPT = -static

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

# Library options in general
G95LIBDIR = /usr/local/g95
LIBOPT = -L$(G95LIBDIR)

# How to link specific libraries
LIB_LAPACK = -llapack
LIB_BLAS = -lblas




After make command I noted the error connected with linking of my dynamic
libraries:

[root at localhost prg_dftb]# make
make[1]: ディレクトリ `/opt/dftb+/binary/_obj_x86_64-linux-g95' に入ります
g95 -static -o dftb+ dftb+.o shift.o accuracy.o common_types.o allocate.o geoopt.o conjgrad.o linmin.o constants.o stepdesc.o mainio.o sparse2dense.o memman.o periodic.o lapackroutines.o message.o sort.o bisection.o linkedlist.o simple_algebra.o fileid.o blasroutines.o fifo.o charmanip.o initprogram.o disp_uff.o disp_common.o diis_mixer.o scc.o coulomb.o extcharge.o charge_constraints.o short_gamma.o dummy_thermostat.o md_common.o ranlux.o slako_cont.o slako_eq_grid.o interpolation.o orbital_equiv.o nhc_thermostat.o energies.o temp_profile.o simple_mixer.o numericalDerivs.o thermostat.o berendsen_thermostat.o andersen_thermostat.o spin.o disp_slaterkirkwood.o broyden_mixer.o thirdorder.o md_integrator.o velocity_verlet.o inputdata_.o rep_cont.o rep_poly.o rep_spline.o dispersion.o type_geometry.o intrinsicpr.o mixer_adt.o anderson_mixer.o scc_init.o dftb_pls_u.o eigensolver.o flib_wxml.o m_wxml_core.o m_wxml_elstack.o m_wxml_buffer.o m_wxml_dictionary.o m_wxml_text.o nonscc.o sk.o populations.o constraints.o angmomentum.o qm.o potentials.o formatout.o eigenvects.o parser.o stringlist.o m_strings.o hsdutils2.o hsdparser.o xmlutils.o flib_dom.o m_dom_nodelist.o m_dom_types.o m_dom_utils.o m_dom_document.o m_dom_namednodemap.o m_dom_node.o m_dom_error.o m_dom_debug.o m_dom_element.o m_dom_attribute.o m_dom_parse.o flib_sax.o m_xml_parser.o m_elstack.o m_buffer.o m_fsm.o m_entities.o m_dictionary.o m_charset.o m_debug.o m_reader.o m_io.o m_xml_error.o m_converters.o hsdutils.o tokenreader.o unitconversion.o disp_uff_data.o general_list.o oldcompat.o wrapped_pointers.o type_geometry_hsd.o old_sk_data.o stressTensor.o taggedout.o densitymatrix.o etemp.o hermite.o ext_erfc.o fact.o repulsive.o spinorbit.o forces.o  -L/usr/local/g95 -llapack -lblas
ld: cannot find -lblas
/usr/local/g95/g95-install/bin/../lib/gcc-lib/x86_64-unknown-linux-gnu/4.0.3//libf95.a(coarray.o): In function `_g95_host_init':
(.text+0x584b): warning: Using 'getaddrinfo' in statically linked applications requires at runtime the shared libraries from the glibc version used for linking
make[1]: *** [dftb+] エラー 1
make[1]: ディレクトリ `/opt/dftb+/binary/_obj_x86_64-linux-g95' から出ます
make: *** [../binary/_obj_x86_64-linux-g95] エラー 2



Problem is that dftb+ can't find where -lblas is.
By installing Intel Fortran Compiler, LAPACK have crushed or something? 

Please answer back if you have any idea.

Sincerely yours,

Yoshito Okuno 
Phd. student 
Osaka university
Department of Applied Physics, Osaka University, Kawata Laboratory

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