The ABINIT Users Mailing List ( CLOSED )

["M.T.Storr" <m.t.storr@reading.ac.uk>]

Hi,

thanks to all those who replied to my mail concerning compilation of 
Abinit on an IBM SP3. The problem has now been resolved as result of 
combining suggestions received. I have included the makefile below whihc 
may be of interest to some.

Thanks

Mark

# This file contains the definitions needed for every possible script
# to be used with the ABINIT makefiles.  It is very much machine-dependent.
# It is read by makemake and makearch.

# This version for an ibm SP3 - 64 bits version with large arrays

# Explanations about this file can be found in the  help.makefile_macros
file,
# in the Infos subdirectory

####################################################################
# For the sequential version 

# Machine type
MACHINE=ibm
# Fortran optimized compilation
FC=mpxlf90_r
FFLAGS=-O3 -q64 -qnolm -qarch=auto -qtune=auto -qstrict
MAIN_ROUTINE_FFLAGS=-qcharlen=16000 -q64
FFLAGS_LIBS=-O3 -q64 -qnolm -qarch=auto -qtune=auto -qstrict -qfixed
FLINK=-bloadmap:loadmap -q64 -bmaxdata:2048000000
AR_COMMAND= ar -X64
# C preprocessor, used to preprocess the fortran source.
CPP=/usr/ccs/lib/cpp
CPP_FLAGS=-P
# C optimized compilation.
CC=mpcc_r
CFLAGS=-O -q64 -qstrict
# Location of perl . Used to generate the script fldiff, in
~ABINIT/Utilities .
PERL=/bin/perl
# Definition of libraries
LIBS= $(LAPACK) $(BLAS) $(FFTNEW) $(NUMRECIP)

####################################################################
# For the parallel version 
_BASE=/usr/lpp/ppe.poe

# Location of directory with header files *.h for parallel version
FFLAGS_PAR=$(FFLAGS) -I$(_BASE)/include/thread64
# Location of the MPI library
LIBS_PAR=$(LIBS) -L$(_BASE)/lib  -lmpi

# This is a last line in makefile_macros ----------


-- 
Mark T. Storr
Research Fellow
School of Chemistry
University of Reading
PO Box 224
Whiteknights
Reading
Berkshire
RG6 6AD
Tel: +44 (0)118 9875123 Ext. 7415
E-mail: M.T.Storr@reading.ac.uk