Dear all friends
Hi,
I try to compile parallel version of siesta according to Dr. Sébastien Le
Roux's guide which I found on the web. I guess that I pass all steps of this
instruction correctlly but finally my siesta is serial version when I run. I
use Open suse 10.3, Openmpi and my fortran compiler is gfortran. I attached
arch.make file which I use in compiling. After making of this file at the
first I go to the siesta/src/mpi and run make command and then come back to the
src folder and run make agian. There is not any error in during of complie but
the executable siesta file is serial. I run it with following command:
mpirun -np 2 siesta < input.fdf > output
Would you please let me know what can I do?
Best Regrads
Reza Kalantari-Nezhad
PhD. Student
AmirKabir University of Technology
#
# 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.
#
.SUFFIXES:
.SUFFIXES: .f .F .o .a .f90 .F90
SIESTA_ARCH=x86_64-unknown-linux-gnu--Gfortran
FPP=
FPP_OUTPUT=
FC=mpif90
RANLIB=echo
SYS=nag
SP_KIND=4
DP_KIND=8
KINDS=$(SP_KIND) $(DP_KIND)
FFLAGS=-g -O2
FPPFLAGS= -DFC_HAVE_FLUSH -DFC_HAVE_ABORT
LDFLAGS=
ARFLAGS_EXTRA=
FCFLAGS_fixed_f=
FCFLAGS_free_f90=
FPPFLAGS_fixed_F=
FPPFLAGS_free_F90=
BLAS_LIBS=$(HOME)/lapack-3.2.1/blas_LINUX.a
LAPACK_LIBS=$(HOME)/lapack-3.2.1/lapack_LINUX.a
BLACS_LIBS=$(HOME)/blacs/lib/blacsCinit_MPI-LINUX-0.a
$(HOME)/blacs/lib/blacsF77init_MPI-LINUX-0.a
$(HOME)/blacs/lib/blacs_MPI-LINUX-0.a
SCALAPACK_LIBS=$(HOME)/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) $(NETCDF_LIBS)
#SIESTA needs an F90 interface to MPI
#This will give you SIESTA's own implementation
#If your compiler vendor offers an alternative, you may change
#to it here.
MPI_HOME=/usr/local
MPI_INTERFACE=libmpi_f90.a
MPI_INCLUDE=$(MPI_HOME)/include
MPI_LIB=$(MPI_HOME)/lib
DEFS_MPI=-DMPI
#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) $<
