The ABINIT Users Mailing List ( CLOSED )

[Doug Ritchie <ritchie@neon.sao.nrc.ca>]

On Tue, Jan 10, 2006 at 04:10:50AM +0100, lbo@ustc.edu wrote:
> Dear All,
> 
> We would like to compile the source on a computer with AMD Athlon X2 CPU 
> and Linux Redhat Enterprise AS 4.0 (64 Bit) OS. 
> Could anyone give me a suggestion  how to choose the compile parameters?
> The compiler is PGI  Server V6.0.8 Linux-TBE.
> Thanks in advance!
> 
> Bo Liu

Hi Bo,

I am appending the makefile_marcros file which I use with a 64bit Opteron
system with the PGI f90 compiler.  You will need to adapt the LAPACK 
library path, BLAS library (I use GOTO), and the MPI (Cray XD1 MPI
implementation) to your own system.  However, I use an old version of the
PGI compiler 5.1-6 because I find more recent versions result in a
segmentation fault in running abinis/abinip.  This has been mentioned once
previously to the forum but with no further discussion.

Douglas Ritchie


############################################# Sequential version
############################################# Machine type
MACHINE=P6
############################################# Fortran compilation
FC=pgf90
FFLAGS_LIBS= -tp k8-64 -O2
FFLAGS=-Mextend -Mfree $(FFLAGS_LIBS)
MAIN_ROUTINE_FFLAGS=$(FFLAGS)
FLINK=$(FFLAGS_LIBS)
############################################# C preprocessor
CPP=/lib/cpp
CPP_FLAGS=-P -traditional
############################################# C compilation
CC=cc
CFLAGS=-m64 -O
############################################# NC
NC_CC=cc
NC_FC=pgf77
NC_F90=pgf90
NC_CPPFLAGS=-DpgiFortran
############################################# Perl Utilities/fldiff
PERL=/usr/bin/perl
############################################# Machine-dependent routines
MACHINE_DEP_F_SEQ_SUBS_LIST=
MACHINE_DEP_C_SEQ_SUBS_LIST=etime.o
############################################# Libraries
BLAS =
LAPACK =
BLAS_A = -L/opt/tacc/lib -lgoto -lpgthread
LAPACK_A = -L/opt/lapack-3.0/pgi-old/lib -llapack
LIBS = $(FFTS) $(NUMRECIP) $(LAPACK_A) $(BLAS_A)
############################################# Parallel Version - MPI
CRAY_LIB=-L/usr/local/lib64 -lrapl
MPI_DIR=/usr/mpich/mpich-1.2.6-pgi602
MPI_LIB=-L$(MPI_DIR)/lib -lfmpich -lmpich -lpmpich
LIBS_PAR= $(LIBS) $(MPI_LIB) $(CRAY_LIB)
INCLUDE_PAR=$(MPI_DIR)/include
FFLAGS_PAR=$(FFLAGS) -I$(INCLUDE_PAR)
MACHINE_DEP_F_PAR_SUBS_LIST=
MACHINE_DEP_C_PAR_SUBS_LIST=etime.par
########################################################################