Thank you. The arch.make is shown below.
#
# 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- .
#
# Use of this software constitutes agreement with the full conditions
# given in the SIESTA license, as signed by all legitimate users.
#
.SUFFIXES:
.SUFFIXES: .f .F .o .a .f90 .F90
SIESTA_ARCH=x86_64-unknown-linux-gnu--unknown
FPP=
FPP_OUTPUT=
FC=/opt/pool/openmpi/bin/mpif90
RANLIB=ranlib
SYS=nag
SP_KIND=4
DP_KIND=8
KINDS=$(SP_KIND) $(DP_KIND)
FFLAGS=-g -O2
FPPFLAGS= -DMPI -DFC_HAVE_FLUSH -DFC_HAVE_ABORT
LDFLAGS=
ARFLAGS_EXTRA=
FCFLAGS_fixed_f=
FCFLAGS_free_f90=
FPPFLAGS_fixed_F=
FPPFLAGS_free_F90=
BLAS_LIBS=
#LAPACK_LIBS=
LAPACK_LIBS=/usr/local/app/lapack/lapack-3.2/lapack_LINUX.a
/usr/local/app/lapack/lapack-3.2/tmglib_LINUX.a
#BLACS_LIBS=
BLACS_LIBS=/usr/local/app/mpiblacs/BLACS/LIB/blacsF77init_MPI-LINUX-0.a \
/usr/local/app/mpiblacs/BLACS/LIB/blacs_MPI-LINUX-0.a \
/usr/local/app/mpiblacs/BLACS/LIB/blacsCinit_MPI-LINUX-0.a
SCALAPACK_LIBS=/usr/local/app/scalapack/scalapack-1.8.0/libscalapack.a
COMP_LIBS=dc_lapack.a liblapack.a libblas.a
NETCDF_LIBS=
NETCDF_INTERFACE=
LIBS=$(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=libmpi_f90.a
MPI_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) $<
----- Original Message -----
From: "Nick Papior Andersen" <[email protected]>
To: [email protected]
Sent: Tuesday, October 2, 2012 9:54:22 AM
Subject: Re: [SIESTA-L] Building SIESTA with MPI...
Hi Bruce
Such an error means that linking to the blacs library has not completed
succesfully.
Please provide your arch.make if we are to help you.
A common error in that link step is that the blacs library is placed wrong in
the linking of libraries. Try and read the following basic introduction to the
linking step:
http://www.network-theory.co.uk/docs/gccintro/gccintro_18.html
Furthermore know that Scalapack relies on blacs. Thus blacs should be linked
last.
Kind regards Nick
2012/10/2 Bruce Allen < [email protected] >
I have tried building SIESTA using a wide variety of build procedures found on
various websites.
Is there a website with a build FAQ? My latest failure results in
_blacs_gridinfo_ being reported as
undefined in the SIESTA link.
Software configuration
UBUNTU 12.4 desktop
ATLAS: retrieved via apt-get located now in /usr/lib/atlas
BLAS: latest from netlib
LAPACK: version 3.2
BLACS: mpiblacs and mpiblacs-patch03
SCALAPACK: version 1.8.0
SIESTA: version 3.1
OPENMPI: version 1.6.1
My test machine configuration is an AMD FX-62 dual core and 8 GB of RAM. I'm
working to better
understand the build process so I can build for a
multiprocessor/multicore/multinode network configuration.
Thank you in advance,
-Bruce
