On Wed, 28 May 2008, Chol-Jun Yu wrote:
Dear Eduardo,
I used mpif77 as compiler for blacs and scalapack...
Dear Chol-Jun
it looks like the hen & egg problem. You need blacs and scalapack to
compile mpif...
I would get ifort, compile blacs & scalapack & mpi and with the
mpif90 compiled, compile SIESTA.
Cheers Marcel
Could you give me again comments?
With kind regards,
Chol-Jun
Eduardo Anglada wrote:
Hi,
You compiled blacs and scalapack with gfortran or g77, while siesta was
compiled
with ifort (intel fortran). You shouldn't mix compilers.
Regards,
Eduardo
On 28/05/2008, at 9:11, Chol-Jun Yu wrote:
Hello,
during the compilation of parallel version, the following errors were
appeared,
...
cdiag.o: In function `cdiag':
/rwthfs/rz/cluster/home/cy849828/siesta-2.0.1/Src/cdiag.F:234: undefined
reference to `blacs_get_'
/rwthfs/rz/cluster/home/cy849828/siesta-2.0.1/Src/cdiag.F:235: undefined
reference to `blacs_gridinit_'
/rwthfs/rz/cluster/home/cy849828/siesta-2.0.1/Src/cdiag.F:243: undefined
reference to `blacs_get_'
/rwthfs/rz/cluster/home/cy849828/siesta-2.0.1/Src/cdiag.F:244: undefined
reference to `blacs_gridinit_'
/rwthfs/rz/cluster/home/cy849828/siesta-2.0.1/Src/cdiag.F:246: undefined
reference to `blacs_gridinfo_'
/rwthfs/rz/cluster/home/cy849828/siesta-2.0.1/Src/cdiag.F:321: undefined
reference to `blacs_gridinfo_'
/rwthfs/rz/cluster/home/cy849828/siesta-2.0.1/Src/cdiag.F:325: undefined
reference to `blacs_gridinfo_'
rdiag.o: In function `rdiag':
/rwthfs/rz/cluster/home/cy849828/siesta-2.0.1/Src/rdiag.F:226: undefined
reference to `blacs_get_'
/rwthfs/rz/cluster/home/cy849828/siesta-2.0.1/Src/rdiag.F:227: undefined
reference to `blacs_gridinit_'
/rwthfs/rz/cluster/home/cy849828/siesta-2.0.1/Src/rdiag.F:235: undefined
reference to `blacs_get_'
/rwthfs/rz/cluster/home/cy849828/siesta-2.0.1/Src/rdiag.F:236: undefined
reference to `blacs_gridinit_'
/rwthfs/rz/cluster/home/cy849828/siesta-2.0.1/Src/rdiag.F:238: undefined
reference to `blacs_gridinfo_'
/rwthfs/rz/cluster/home/cy849828/siesta-2.0.1/Src/rdiag.F:304: undefined
reference to `blacs_gridinfo_'
/rwthfs/rz/cluster/home/cy849828/siesta-2.0.1/Src/rdiag.F:306: undefined
reference to `blacs_gridinfo_'
/home/cy849828/scalapack-1.8.0/libscalapack.a(pxerbla.o): In function
`pxerbla_':
pxerbla.f:(.text+0x3c): undefined reference to `s_wsfe'
pxerbla.f:(.text+0x52): undefined reference to `do_fio'
pxerbla.f:(.text+0x68): undefined reference to `do_fio'
pxerbla.f:(.text+0x79): undefined reference to `do_fio'
pxerbla.f:(.text+0x8d): undefined reference to `do_fio'
pxerbla.f:(.text+0x94): undefined reference to `e_wsfe'
/home/cy849828/scalapack-1.8.0/libscalapack.a(pdgemr.o): In function
`Cpdgemr2do':
...
I have attached the "arch.make" file.
Any comment will be thankful.
Chol-Jun
--
Chol-Jun Yu
Computational Materials Engineering (CME)
Institute of Minerals Engineering (GHI)
Center for Computational Engineering Science (CCES)
RWTH Aachen University (RWTH)
Jülich-Aachen Research Alliance (JARA)
D-52064 Aachen, Mauerstrasse 5,
Tel: +49-241-8094989
Fax: +49-241-80695097
#
# 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--Intel
FPP=
FPP_OUTPUT=
FC=mpiifort
RANLIB=ranlib
SYS=nag
SP_KIND=4
DP_KIND=8
KINDS=$(SP_KIND) $(DP_KIND)
FFLAGS=-g
FPPFLAGS= -DMPI -DFC_HAVE_FLUSH -DFC_HAVE_ABORT
LDFLAGS=
ARFLAGS_EXTRA=
FCFLAGS_fixed_f=
FCFLAGS_free_f90=
FPPFLAGS_fixed_F=
FPPFLAGS_free_F90=
BLAS_LIBS=-lblas
LAPACK_LIBS=-llapack
BLACS_LIBS=/home/cy849828/BLACS/LIB/blacs_MPI-LINUX-0.a
SCALAPACK_LIBS=/home/cy849828/scalapack-1.8.0/libscalapack.a
COMP_LIBS=dc_lapack.a
NETCDF_LIBS=
NETCDF_INTERFACE=
LIBS=$(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) $<
--
Chol-Jun Yu
Computational Materials Engineering (CME)
Institute of Minerals Engineering (GHI)
Center for Computational Engineering Science (CCES)
RWTH Aachen University (RWTH)
Jülich-Aachen Research Alliance (JARA)
D-52064 Aachen, Mauerstrasse 5,
Tel: +49-241-8094989
Fax: +49-241-80695097
