[DFTB-Plus-User] Compilation error

[Christian Oppenländer]

Dear Sir,

I tried to compile dftb+ on my home desktop running Ubuntu 10.04.1 lucid on
an Athlon 64 3200+ with gfortran 4.3.4. BLAS/LAPACK should be installed
correctly (?).

# -*- makefile -*-
############################################################################
# System dependent Makefile options for
# Linux, GNU gfortran compiler
############################################################################

# Fortran 90 compiler
FC90 = gfortran

# Options for the Fortran 90 compiler
FC90OPT = -O3 -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 ($(DEBUG),1)
    FC90OPT = -g
endif
ifeq ($(DEBUG),2)
    FC90OPT = -g
endif
ifeq ($(DEBUG),3)
    CPPOPT = -DDEBUG=$(DEBUG) -DEXTERNALERFC
    FC90OPT = -g -std=f95 -Wall -Wextra -fbounds-check # -fstack-check
endif

# Library options in general
LIBOPT = -L/usr/local/lib

# How to link specific libraries
LIB_BLAS   = -lcblas -lf77blas -latlas # -lg2c
LIB_LAPACK = -llapack


The errors look like this, it occurs when compiling the files in the
"lib_gdftb"-subfolder:


gfortran -O3 -funroll-all-loops  -o structure.o -c structure.f90
structure.f90:106.32:

  real(dp) function shortvertice
                                1
Error: Expected formal argument list in function definition at (1)
structure.f90:108.29:

    real(dp) yhlp, testbox(6)
                             1
Error: Unexpected data declaration statement in CONTAINS section at (1)
structure.f90:110.4:

    testbox(1)=boxsiz(1,1)**2+boxsiz(1,2)**2+boxsiz(1,3)**2
    1
Error: Unclassifiable statement at (1)
structure.f90:111.4:

    testbox(2)=boxsiz(2,1)**2+boxsiz(2,2)**2+boxsiz(2,3)**2
    1
Error: Unclassifiable statement at (1)
structure.f90:112.4:



I would really appreciate any help you can give me.

Thanks,
C.Oppenlander
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