The ABINIT Users Mailing List ( CLOSED )

[Resul Eryigit <resul@ibu.edu.tr>]

dear yashar,
i have attached a makefile for PGI compiler on Opteron .
it uses goto libs instead of the blas that comes with abinit.
abinit linked with libgoto is 50-60 % faster than the one linked to 
normal blas.
if you provide more info about your system (compiler+MPI variant),
can send you binaries too.
regards,
resul

yourdsah@yahoo.com wrote:

> Dear abinit users,
>
> I have hard time to get abinit 4.4 working on AMD opteron.
> I would appreciate all help.
> Is there any binary version available?
>
> Thanks in advance
> Yashar
>
>
>  


# 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 dummy based on a Pentium IV, bi-procs
# Explanations about this file can be found in the  makefile_macros_help file,
# in the Infos subdirectory

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

# Machine type
MACHINE=P6
# Fortran optimized compilation
FC=mpif77 
FFLAGS=-fast -Mfree -r8 -O3 -tp k8-64 -Munroll -Mvect=sse 
-Mvect=assoc,cachesize:1048576 -Mcache_align -Kieee -Mvect=prefetch
FFLAGS_LIBS =-fast -r8 -O2 -tp k8-64 -Munroll -Mvect=sse 
-Mvect=assoc,cachesize:1048576 -Mcache_align -Kieee -Mvect=prefetch

# C preprocessor, used to preprocess the fortran source.
CPP=/lib/cpp 
CPP_FLAGS=-P -traditional -DCONTRACT

# C optimized compilation.
CC=cc
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

# Use the ABINIT default libraries.
# For dynamical link, uncomment this line
#LIBS= $(LAPACK) $(BLAS) $(NETCDF)
LIBS = -L/usr/pgi/linux86-64/5.2/lib -llapack -L/root/tmp 
-lgoto_opt-64_1024p-r0.97 /root/xerbla.o 
NC_CC=cc
NC_FC=pgf77
NC_F90=pgf90
NC_CPPFLAGS=-DpgiFortran

####################################################################
# For the parallel version 

# Compiler flags and definitions
FFLAGS_PAR= $(FFLAGS) -I /usr/local/include
# List of machine-dependent routines
MACHINE_DEP_C_PAR_SUBS_LIST=etime.par

# Location of the MPI library
#MPI_A=/usr/local/mpi-pgi/lib/libfmpich.a /usr/local/mpi-pgi/lib/libmpich.a
# Include blas, lapack, and any other libraries here
 LIBS_PAR=$(LIBS) 

# Command for automatic tests in parallel (optional)
 COMMAND_PAR= /usr/local/mpi-pgi/bin/mpirun -np 2 -machinefile 
dummy.pcpm.ucl.ac.be:2 ../../abinip 

####################################################################
# For integration of netcdf

# The following lines may be uncommented if the ./configure script for
# netcdf doesn't find the appropriate tools.
# The script Lib_netcdf/src/nc_configure will strip the NC_ prefix,
# set the appropriate environment variables
# and call the standard netcdf ./configure script
# Note that in this example, the CFLAGS is given to define the "compiler 
platform"
# as expected by netcdf (not always required, the compiler may define
# the adequate environment variable or configur may find it).
# For examples of environment variables used on different platforms see:
# http://www.unidata.ucar.edu/packages/netcdf/INSTALL.html

NC_FC=/usr/pgi/linux86/bin/pgf90
NC_F90=/usr/pgi/linux86/bin/pgf90
NC_CPPFLAGS='-DNDEBUG -DpgiFortran'
#NC_CC=
#NC_CFLAGS=
#NC_FFLAGS=
#NC_F90FLAGS=

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