AMBER Archive (2007)

Subject: Re: AMBER: problem compiling Amber9 on 64-machine

From: S.Sundar Raman (sundar02_at_gmail.com)
Date: Thu Aug 02 2007 - 00:03:32 CDT


dear fatima,
still leap not compiling in my system, but other programs are compiled
sucessfully in the serial version

On 8/1/07, David A. Case <case_at_scripps.edu> wrote:
>
> On Wed, Aug 01, 2007, S.Sundar Raman wrote:
> >
> > I am also trying to install amber9 in amd opteron processor with pgf90
> > compiler.
>
> Sigh...the pgf90 stuff has caused us more grief....
>
> >
> > make[2]: Entering directory `/usr/local/openmpi-1.2.3/ompi/mpi/f90'
> >
> > /bin/sh ../../../libtool --mode=link pgf90 -I../../../ompi/include
> > -I../../../ompi/include -I. -I. -I../../../ompi/mpi/f90 -export-dynamic
> -o
> > libmpi_f90.la -rpath /usr/local/mpi/lib mpi.lo mpi_sizeof.lo
> > mpi_comm_spawn_multiple_f90.lo mpi_testall_f90.lo mpi_testsome_f90.lo
> > mpi_waitall_f90.lo mpi_waitsome_f90.lo mpi_wtick_f90.lo mpi_wtime_f90.lo
> > -lnsl -lutil -lm
> >
> > libtool: link: pgf90 -shared -fPIC -Mnomain .libs/mpi.o
> .libs/mpi_sizeof.o
> > .libs/mpi_comm_spawn_multiple
> >
> > f90.o .libs/mpi_testall_f90.o .libs/mpi_testsome_f90.o
> > .libs/mpi_waitall_f90.o .libs/mpi_waitsome_f90.o .libs/mpi_wtick_f90.o
> > .libs/mpi_wtime_f90.o -lnsl -lutil -lm -Wl,-soname -Wl,libmpi_f90.so.0
> -o
> > .libs/libmpi_f90.so.0.0.0
> >
> > /usr/bin/ld: .libs/mpi.o: relocation R_X86_64_PC32 against `__pgio_ini'
> can
> > not be used when making a shared object; recompile with -fPIC
> >
> > /usr/bin/ld: final link failed: Bad value
>
> Note that this is a problem with openmpi and pgf90: it has nothing per se
> to
> do with Amber. People here who are familiar with openmpi may be able to
> help, but you might also ask at the openmpi site.
>
> > therefore i tried to use lam,
>
> [For what it is worth: I've also had lots of trouble with openmpi
> portability,
> although not with the particular compiler/OS combination. In my
> experience,
> lam is the most portable of the popular MPI's (the only one that will work
> for me with cygwin, for example.) But I don't use pgf90 myself. I think
> your
> partcular lam problem was diagnosed correctly by Ross Walker.]
>
> ...good luck...dac
>
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-- 
S.Sundar Raman
Chemical Lab,
CLRI
Chennai-20
ph: 044-24411830

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