Hi Benjamin
You are wright, please see below. Thanhs
francesco
--- Benjamin Juhl <itbbju.itb.uni-stuttgart.de> wrote:
> Hi Francesco,
>
> from the below output, i'd guess that /usr/local/openmpi-1.2.3/ is the
> directory with the openmpi sourcecode, but it seems to have been
> installed to a different location (probably just /usr/local/). As mpif90
> --showme worked, you can try "which mpif90" in order to see where your
> mpif90 is located (my guess is /usr/local/bin).
francesco.deb64:~$ which mpif90
/usr/local/bin/mpif90
--------
/usr/local/bin
also contains:
mpic++ mpicc mpiCC mpicxx mpiexec mpif77 mpirun ompi_info opal_wrapper
--------
Use those mpi wrappers
> to manualy replace the compilers in your config.h for parallel amber. We
> just did that and it worked fine with openmpi-1.2.2 (though we used
> pathscale compilers). For reference i attached a config.h file that
> worked for us, so you can see where you might want to put in the wrappers.
>
> Benjamin
>
>
> Francesco Pietra schrieb:
> > --- Mark Williamson <Mark.Williamson.imperial.ac.uk> wrote:
> >
> >
> >> Francesco Pietra wrote:
> >>
> >>> Because the intervening interventions may have blurred the original
> message
> >>>
> >>
> >>
> >>> /usr/local/openmpi-1.2.3/
> >>>
> >> ^
> >> |
> >> Somewhere, below this point in the file system there should exist an
> >> executable called mpif90
> >>
> >>
> >> Can you a) find it and post its complete path
> >> (try "cd /usr/local/openmpi-1.2.3/ ;find ./ | grep mpif90")
> >>
> >
> > francesco.deb64:/usr/local/openmpi-1.2.3$ find ./ | grep mpif90
> >
> > ./ompi/tools/wrappers/mpif90-wrapper-data.txt.in
> >
> > ./ompi/tools/wrappers/mpif90-wrapper-data.txt
> >
> > ./ompi/tools/wrappers/mpif90.1
> >
> > ./ompi/tools/wrappers/mpif90.1
> >
> >
> >
> >>
> >> b) post the output from "mpif90 --showme" ?
> >>
> >>
> > francesco.deb64:/usr/local/openmpi-1.2.3$ mpif90 --showme
> >
> > /opt/intel/fce/9.1.036/bin/ifort -I/usr/local/include -pthread
> -I/usr/local/lib
> > -L/usr/local/lib -lmpi_f90 -lmpi_f77 -lmpi -lopen-rte -lopen-pal -ldl
> > -Wl,--export-dynamic -lnsl -lutil
> >
> >
> >
> > Thanks
> > francesco
> >
> >
> >
> >
> >> regards,
> >>
> >> Mark
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> >>
> >
> >
> >
> >
> >
>
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> >
#==============================================================================
> # AMBER Makefile configuration for compiler/architecture: pathscale
> # Generated via command: ./configure -opteron -bintraj -openmpi pathscale
> #
> # Configuration script written mainly by Joe Krahn, Scott Brozell, and
> # Dave Case, with contributions from lots of people.
>
#==============================================================================
>
>
#------------------------------------------------------------------------------
> # Main AMBER source root directory
>
#------------------------------------------------------------------------------
> AMBER_SRC=/export/home/userinstall/amber9/src
>
>
#------------------------------------------------------------------------------
> # AMBERBUILDFLAGS provides a hook into the build process for installers;
> # for example, to build debug versions of the amber programs
> # make -e AMBERBUILDFLAGS="-DDEBUG -g"
>
#------------------------------------------------------------------------------
> AMBERBUILDFLAGS=
>
>
#------------------------------------------------------------------------------
> # LOCALFLAGS is intended for program specific modifications to the
> # Fortran build process and may be modified by the program's local makefile
>
#------------------------------------------------------------------------------
> LOCALFLAGS=
>
>
#------------------------------------------------------------------------------
> # Availability and method of delivery of math and optional libraries
>
#------------------------------------------------------------------------------
> USE_BLASLIB=$(SOURCE_COMPILED)
> USE_LAPACKLIB=$(SOURCE_COMPILED)
> USE_LMODLIB=$(LMOD_UNAVAILABLE)
>
>
#------------------------------------------------------------------------------
> # C compiler
>
#------------------------------------------------------------------------------
> CC= /share/apps/openmpi-1.2.2/bin/mpicc
> CPLUSPLUS=/share/apps/openmpi-1.2.2/bin/mpiCC
> CFLAGS= -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -O1
> CPPFLAGS= -DBINTRAJ -I/export/home/userinstall/netcdf-3.6.2/include
> $(AMBERBUILDFLAGS)
>
>
#------------------------------------------------------------------------------
> # Fortran preprocessing and compiler.
> # FPPFLAGS holds the main Fortran options, such as whether MPI is used.
>
#------------------------------------------------------------------------------
> FPPFLAGS= -I/share/apps/openmpi-1.2.2/include -P -DMPI -DBINTRAJ
> $(AMBERBUILDFLAGS)
> FPP= /share/apps/openmpi-1.2.2/bin/mpif90 -cpp -E $(FPPFLAGS)
> FC= /share/apps/openmpi-1.2.2/bin/mpif90
> FFLAGS= -O0 -intrinsic=PGI -intrinsic=fdate -fno-unsafe-math-optimizations
> $(LOCALFLAGS) $(AMBERBUILDFLAGS)
> FOPTFLAGS= -O3 -intrinsic=PGI -intrinsic=fdate
> -fno-unsafe-math-optimizations $(LOCALFLAGS) $(AMBERBUILDFLAGS)
> FREEFORMAT_FLAG= -freeform
>
>
#------------------------------------------------------------------------------
> # Loader:
>
#------------------------------------------------------------------------------
> LOAD= /share/apps/openmpi-1.2.2/bin/mpif90 -O3 -intrinsic=PGI
> -intrinsic=fdate -fno-unsafe-math-optimizations $(LOCALFLAGS)
> $(AMBERBUILDFLAGS)
> LOADCC= /share/apps/openmpi-1.2.2/bin/mpicc $(LOCALFLAGS) $(AMBERBUILDFLAGS)
> LOADLIB= -L/share/apps/openmpi-1.2.2/lib -lmpi_f90 -lmpi_f77 -lmpi -lopen-rte
> -lopen-pal -ldl -Wl,--export-dynamic -lnsl -lutil -lm -ldl
> LM= -lm
> LOADPTRAJ= /share/apps/openmpi-1.2.2/bin/mpif90 -O3 -intrinsic=PGI
> -intrinsic=fdate -fno-unsafe-math-optimizations $(LOCALFLAGS)
> $(AMBERBUILDFLAGS)
> XHOME= /usr/X11R6
> XLIBS= -L/usr/X11R6/lib64 -L/usr/X11R6/lib
>
>
#------------------------------------------------------------------------------
> # Other stuff:
>
#------------------------------------------------------------------------------
> .SUFFIXES: .f90
> EMPTY=
> AR=ar rv $(EMPTY)
> M4=m4
> RANLIB=ranlib
> SFX=
> NETCDF=netcdf.mod
> NETCDFLIB=/export/home/userinstall/netcdf-3.6.2/lib/libnetcdf.a
> MODULEDIR=-I
> MAKEDEPEND=$(AMBER_SRC)/../bin/amber_makedepend
> SLKO=skipDFTB
>
> # default rules for Fortran and C compilation:
>
> .f.o: $<
> $(FPP) $< > _$<
> $(FC) -c $(FFLAGS) -o $. _$<
>
> .c.o:
> $(CC) -c $(CFLAGS) $(CPPFLAGS) -o $. $<
>
>
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Received on Sun Jul 29 2007 - 06:07:11 PDT
