Re: AMBER: problem compiling Amber9 on 64-machine

From: David A. Case <case.scripps.edu>
Date: Wed, 1 Aug 2007 09:43:21 -0700

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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Received on Sun Aug 05 2007 - 06:07:11 PDT
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