Dear Philipp,
Currently we are working with pathscale for a solution
of your problem. Once we know how to compile siesta
with the latest version of the pathscale compilers I will
provide the arch.make. For the other versions of pathscale
compiler use the arch.make provided by Pablo Aguado.
Best regards,
Eduardo
On 09/05/2008, at 9:46, Dipl.-Phys. Philipp Plänitz wrote:
#
# This file is part of the SIESTA package.
#
# Copyright (c) Fundacion General Universidad Autonoma de Madrid:
# E.Artacho, J.Gale, A.Garcia, J.Junquera, P.Ordejon, D.Sanchez-Portal
# and J.M.Soler, 1996-2006.
#
# Use of this software constitutes agreement with the full conditions
# given in the SIESTA license, as signed by all legitimate users.
#
MPIdir = /opt/mpi/path/mpich2-1.0.6p1
.SUFFIXES:
.SUFFIXES: .f .F .o .a .f90 .F90
SIESTA_ARCH=x86_64-unknown-linux-gnu--unknown
FPP=
FPP_OUTPUT=
FC=$(MPIdir)/bin/mpif90
RANLIB=ranlib
SYS=nag
SP_KIND=4
DP_KIND=8
KINDS=$(SP_KIND) $(DP_KIND)
FFLAGS=-g -Wl,-R/opt/compiler/pathscale/lib/3.1
#FPPFLAGS= -DMPI -DFC_HAVE_FLUSH -DFC_HAVE_ABORT -DCDF
FPPFLAGS= -DMPI -DFC_HAVE_FLUSH -DFC_HAVE_ABORT
LDFLAGS=-static -m64 -ipa
ARFLAGS_EXTRA=
FCFLAGS_fixed_f=
FCFLAGS_free_f90=
FPPFLAGS_fixed_F=
FPPFLAGS_free_F90=
BLACSdir = /opt/applications/blacs/BLACS_pathf90_mpich2-1.0.6p1/
LIB
BLAS_LIBS=/opt/math/acml-4.0.1-pathscale/lib/libacml.a
#LAPACK_LIBS=/opt/math/acml-4.0.1-pathscale/lib/libacml.a
BLACS_LIBS=$(BLACSdir)/blacsCinit_MPI-LINUX-0.a
$(BLACSdir)/blacsF77init_MPI-LINUX-0.a $(BLACSdir)/blacs_MPI-LINUX-0.a
SCALAPACK_LIBS=/opt/applications/scalapack/scalapack-1.8.0_path-
mpich2-1.0.6p1-acml/libscalapack.a
#COMP_LIBS=libnetcdf_f90.a
#NETCDF_LIBS=/usr/lib/libnetcdf.a
LIBS=$(SCALAPACK_LIBS) $(BLACS_LIBS) $(LAPACK_LIBS) $(BLAS_LIBS)
$(NETCDF_LIBS)
#SIESTA needs an F90 interface to MPI
#This will give you SIESTA's own implementation
#If your compiler vendor offers an alternative, you may change
#to it here.
#MPI_INTERFACE=/opt/mpi/path/mpich2-1.0.6p1/lib/libmpi_f90.a
MPI_INTERFACE=libmpi_f90.a
#MPI_INTERFACE=MPI/Interfaces.o
MPI_INCLUDE=/opt/mpi/path/mpich2-1.0.6p1/src/include/
#Dependency rules are created by autoconf according to whether
#discrete preprocessing is necessary or not.
.F.o:
$(FC) -c $(FFLAGS) $(INCFLAGS) $(FPPFLAGS) $(FPPFLAGS_fixed_F)
$<
.F90.o:
$(FC) -c $(FFLAGS) $(INCFLAGS) $(FPPFLAGS) $(FPPFLAGS_free_F90)
$<
.f.o:
$(FC) -c $(FFLAGS) $(INCFLAGS) $(FCFLAGS_fixed_f) $<
.f90.o:
$(FC) -c $(FFLAGS) $(INCFLAGS) $(FCFLAGS_free_f90) $<
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