Re: AMBER: Building parallel Amber 9.0

From: Gustavo Seabra <gustavo.seabra.gmail.com>
Date: Wed, 15 Aug 2007 09:46:59 -0400

What options did you give 'configure'? Can you send the output of the
'configure' script? Finally, do you have MPI_HOME set?

Gustavo.

On 8/15/07, Beale, John <jbeale.stlcop.edu> wrote:
>
>
> I am trying to build a parallel install of Amber 9 on an SGI Linux system
> with 4 processors. I properly installed the open-mpi utility. I use the
> "configure" with "ifort_ia32", which I think is appropriate for my system. I
> then do a "make clean" as recommended. When I try to install the package, I
> get the following error messages (many of these):
>
> force.o (.text + 0x273b):In function 'force_':
> :undefined reference to 'mpi_bcast_'
>
> .........many such complaints
>
> make [1]: *** [sander.MPI] Error 1
> make [1]: Leaving directory '....../src/sander'
> make: *** [parallel] Error 2
>
>
> This seems to point to a problem with open-mpi, but that package seemed to
> install without errors. Can someone point me in the right direction?
>
> Thanks!
>
> John Beale
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Received on Sun Aug 19 2007 - 06:07:07 PDT
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