Dear Rob
Does the file mpi_siesta.mod actually exist in the Src folder? in case it
does not, enter in the Src/MPI folder and type make. Does it give any
output? Type make pi3 and try to run the program. Does it run?
In case the modules cannot be built, what's the output of ifort -V? mine
isIntel(R) Fortran Compiler for Intel(R) EM64T-based applications, Version
9.0 Build 20051020
and seems to work.
Did you try to relax the optimization flags to -O2 -mp ? Does it help to
build the module?
By the way, you did not put the MPI_INCLUDE variable (but it may be
unnecesary). Mine is
MPI_INCLUDE=/share/apps/intel/mpi/2.0.1/include64
I also notice that you did link against mkl and not cmkl, therefore you
may be missing the SCALAPACK libraries (this problem may appear in the
final link and not here)
Best luck with the compiling and hope it helps
Lucas
P.S.: I have cleaned a bit the arch.make that I sent yesterday (GMT+2).
here it goes
SIESTA_ARCH=ifort9.cmkl8.mpi
#
# arch.make created by Lucas Fernández Seivane, [EMAIL PROTECTED]
# You may need to change the name of the compiler, location of
libraries...
# Tested with EM64T Xeons, cmkl 8.1, intel mpi 2.0.1
#
LANG=
FC=mpiifort
FC_ASIS=$(FC)
#
FFLAGS=-O3 -xW -mp -ip -tpp7
FFLAGS_DEBUG= -g -O0
RANLIB=echo "do we need to ranlib this? : "
MPI_INCLUDE=/share/apps/intel/mpi/2.0.1/include64
MPI_INTERFACE=libmpi_f90.a
DEFS_MPI=-DMPI
#
LIBS=-L/share/apps/intel/cmkl/8.1/lib/em64t -lmkl_scalapacktesting_intel
-lmkl_scalapack -lmkl_blacs_intelmpi20 \
-lmkl_lapack -lmkl_em64t -lguide -lpthread -lrt
SYS=bsd
DEFS= $(DEFS_MPI) $(DEFS_CDF)
#
.F.o:
$(FC) -c $(FFLAGS) $(DEFS) $<
.f.o:
$(FC) -c $(FFLAGS) $<
.F90.o:
$(FC) -c $(FFLAGS) $(DEFS) $<
.f90.o:
$(FC) -c $(FFLAGS) $<
#
Best regards
Lucas
On Thu, 25 May 2006, Rob wrote:
Thank you Alberto, I have changed this setting but it does
not improve anything. Same error still occurs.
Note that the error occurs during the compilation process,
whereas the MPI_INTERFACE is needed for the loading later.
Apparently there's a more fundamental issue here with the
intel compiler. Has anybody else used the intel compiler
for Linux (Version 9.0) to compile Siesta 2.0 ?
Rob.
On Wed, 24 May 2006 15:17:08 +0200, Alberto Garcia <[EMAIL PROTECTED]> wrote:
Rob:
Your setting of MPI_INTERFACE is wrong. It should be
MPI_INTERFACE=libmpi_f90.a
Alberto
El 24/05/2006, a las 13:47, Rob Lahaye escribió:
Hello,
I am using Intel Fortran/C++ compiler for Linux, version 9.0.
I have compiled mpich-1.2.7p1 with the compiler and all this
works fine for other packages such as VASP.
However, when I compile the parallel version of SIESTA, I get
this error:
$ make
[...]
mpif90 -c -w -xP -O3 -mp1 parallel.f
mpif90 -c -w -xP -O3 -mp1 -DMPI sys.F
fortcom: Error: sys.F, line 24: Error in opening the Library module
file. [MPI_SIESTA]
use mpi_siesta
----------^
fortcom: Error: sys.F, line 43: Error in opening the Library module
file. [MPI_SIESTA]
use mpi_siesta
----------^
fortcom: Error: sys.F, line 74: Error in opening the Library module
file. [MPI_SIESTA]
use mpi_siesta
----------^
compilation aborted for sys.F (code 1)
make: *** [sys.o] Error 1
Any idea what's wrong here? My arch.make file is as follows:
SIESTA_ARCH=intel9-mkl8
FC=mpif90
FFLAGS= -w -xP -O3 -mp1
FFLAGS_DEBUG= -g
LDFLAGS= -static
COMP_LIBS=
RANLIB=echo
NETCDF_LIBS=
NETCDF_INTERFACE=
DEFS_CDF=
MPI_INTERFACE=$(HOME)/opt/mpich/lib/libmpich.a
MPI_INCLUDE=$(HOME)/opt/mpich/include
DEFS_MPI=-DMPI
GUIDE=$(HOME)/intel/mkl/8.0.2/lib/32/libguide.a
LAPACK=$(HOME)/intel/mkl/8.0.2/lib/32/libmkl_lapack.a
BLAS=$(HOME)/intel/mkl/8.0.2/lib/32/libmkl_ia32.a
LIBS=$(LAPACK) $(BLAS) $(GUIDE) -lpthread -lsvml
SYS=nag
DEFS= $(DEFS_CDF) $(DEFS_MPI)
.F.o:
$(FC) -c $(FFLAGS) $(INCFLAGS) $(DEFS) $<
.f.o:
$(FC) -c $(FFLAGS) $(INCFLAGS) $<
.F90.o:
$(FC) -c $(FFLAGS) $(INCFLAGS) $(DEFS) $<
.f90.o:
$(FC) -c $(FFLAGS) $(INCFLAGS) $<
Thanks,
Rob.
########################################################################
# Ph.D. Student Lucas Fernández Seivane Tlf: (+34) 985 102946 #
# Departamento de Fisica, Facultad de Ciencias Fax: (+34) 985 102952 #
# Universidad de Oviedo Cell:(+34) 645 227396 #
# 33007 Oviedo (Asturias) - Spain #
########################################################################
