The ABINIT Users Mailing List ( CLOSED )

[delaire@caltech.edu]

Dear Abinit users,

I am having trouble trying to install Abinip 4.0.3 on a cluster of Athlon 
xp's under Linux. Our Fortran compiler is Absoft's Pro Fortran 8.0 and I 
installed MPICH-1.2.5 .
I couldn't make abinip successfully, it seems there might be some issue with 
the f90 free/fixed format?
Here is an extract of the error I get when i run make in the ~ABINIT 
directory:

######################################

./makemake

 Before installation, create a link to a makefile_macros file.
 If parallel version, you might have to create a link to a mpif.h file.

 makemake : included makefile_macros in tmp_makefile
 makemake : reached end, the tmp_makefile file has been generated

rm -f include.version
echo ' character*6, parameter :: codvsn="4.0.3"' > include.version
make -f tmp_makefile abinip basip
make[1]: Entering directory `/data/home/olivier/abinit403'
if [ ! -d ./Src_defs  ] ; then \
         mkdir -p ./Src_defs ; \
        fi
cd . ; \
         if [ ! -f makefile_macros ] ; then \
          cp /home/olivier/abinit403/makefile_macros . ; \
         fi
cd ./Src_defs ; \
         if [ ! -f object_list ] ; then \
          cp /home/olivier/abinit403/Src_defs/object_list . ; \
         fi ; \
         /home/olivier/abinit403/makearch Src_defs ar_defs no_cpp

 makearch : included makefile_macros in Src_defs/tmp_makefile
 makearch : reached end, the Src_defs/tmp_makefile file has been generated

cd ./Src_defs; \
          make -f tmp_makefile ar_defs.a 
VPATH=/home/olivier/abinit403/Src_defs
make[2]: Entering directory `/data/home/olivier/abinit403/Src_defs'
/usr/local/mpich-1.2.5/bin/mpif90 -Mextend -Mfree -O2 -c defs_aimfields.f

module defs_aimfields
^
cf90-400 f90fe: ERROR $MAIN, File = defs_aimfields.f, Line = 25, Column = 1
  The characters found in the label field are not valid.
     ^
cf90-211 f90fe: ERROR $MAIN, File = defs_aimfields.f, Line = 25, Column = 6
  Continuation is not allowed for this statement.

implicit none
^
cf90-400 f90fe: ERROR $MAIN, File = defs_aimfields.f, Line = 27, Column = 1
  The characters found in the label field are not valid.

integer, save :: ngfft(3),nmax

... goes on like this for a while ....

    dder=aa*sdfd(indx)+bb*sdfd(1)
cf90-214 f90fe: LIMIT $MAIN, File = defs_aimfields.f, Line = 148
  The maximum number, 100, of fatal errors has been exceeded.

make[2]: *** [defs_aimfields.o] Error 1
make[2]: Leaving directory `/data/home/olivier/abinit403/Src_defs'
make[1]: *** [Src_defs/ar_defs.a] Error 2
make[1]: Leaving directory `/data/home/olivier/abinit403'
make: *** [abinip] Error 2

##############################################

Also, here is the 'makefile_macros' file I used, inspired from the 
/Intel_P6/makefile_macros.PGI_MPICH file provided in distribution:

# Machine type
MACHINE=P6

# Fortran optimized compilation PGI/MPICH
FC=/usr/local/mpich-1.2.5/bin/mpif90
FFLAGS=-Mextend -Mfree -O2
FFLAGS_LIBS= -O2
# C preprocessor, used to preprocess the fortran source.
CPP=/usr/local/gcc-3.2/bin/cpp
# C preprocessor flags. specify "-DMPI" for parallel with MPI
CPP_FLAGS=-P -traditional -DMPI
# C optimized compilation.
CC=/usr/local/gcc-3.2/bin/gcc
CFLAGS=-O
# Location of perl . Used to generate the script fldiff, in ~ABINIT/Utilities 
.
PERL=/usr/bin/perl
# List of machine-dependent routines
MACHINE_DEP_C_SEQ_SUBS_LIST=etime.o

####################################################################
# For the parallel version : MPICH / MYRINET

# Compiler flags and definitions
FFLAGS_PAR= $(FFLAGS) -I /usr/local/mpich-1.2.5/include

# List of machine-dependent routines
MACHINE_DEP_C_PAR_SUBS_LIST=etime.par

# Location of the MPI library
# MPI_A=/usr/local/hpf/linux86/lib/libpghpf_mpi.a
# MPI_A=/usr/local/pgi/linux86/lib/libpghpf_mpi.a
MPI_A=/usr/local/mpich-1.2.5/lib/libmpichf90.a

# Include blas, lapack, and any other libraries here
# This line is to use the LAPACK and BLAS libraries provided
# with Abinit
LIBS=$(LAPACK) $(BLAS)
LIBS_PAR=$(LIBS) $(MPI_A)

################################

Any help would be greatly appreciated!
Regards,

Olivier.