Re: AMBER: Amber 9 make parallel fails with mpich

From: David A. Case <>
Date: Fri, 2 Mar 2007 09:59:50 -0800

On Fri, Mar 02, 2007, Rene Salmon wrote:
> I can't seem to get amber9 to compile with mpich. I get a bunch of
> undefined references. I also don't see anywhere the "-lmpich" line to link
> against the mpich libs. Could it be that I just need to add the "-lmpich"
> line somewere?

Please look at your config.h file and at lines 300-301 of

It could be that your $MPI_HOME variable is incorrect; this value is echoed to
stdout when you run configure. Be sure that $MPI_HOME/bin/mpif90 exists.

If this doesn't help, try commenting out line 300 and uncommenting line 301.

If this is the problem, please let us know what version of mpich you are
using; others may encounter the same problem.

[Amber developers: for version 10 we are using yet another scheme to try to
auto-configure the various mpich stuff. If you find a problem, be sure to fix
it in the configure script, or at least report it. Don't just hand-edit your
local config.h file and go on to something else.....thanks.]

...good luck...dac

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Received on Sun Mar 04 2007 - 06:07:56 PST
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