Re: [AMBER] Amber11 using MPICH (parallel install problem)

From: mish <>
Date: Thu, 7 Jul 2011 16:08:39 +0200

Thank a lot. configure_mpich2 worked really well but the problem I have now
is something strange. I can see some reports about it earlier but no
solution or further discussion in the post. Also in my sace sander.MPI works
well when I test it for one thread:
sander.MPI -O -i -o md1.out -p -c optim1_5.rst -x

then it works. when i use it with mpiexec fir 5 thread in a pbs it produces
error : cannot connect to local mpd
(/tmp/mpd2.console_mish); possible causes:
  1. no mpd is running on this host
  2. an mpd is running but was started without a "console" (-n option)
In case 1, you can start an mpd on this host with:
    mpd &
and you will be able to run jobs just on this host.
For more details on starting mpds on a set of hosts, see
the MPICH2 Installation Guide.

What could be the possible mistake ?


On Wed, Jul 6, 2011 at 9:36 PM, David A Case <>wrote:

> On Wed, Jul 06, 2011, mish wrote:
> >
> > Dies anyone have some idea how to properly compile MPICH so that it can
> work
> > here or how to modify ./configure to make in working in this condition.
> Please see the "configure_openmpi" or "configure_mpich2" scripts in
> $AMBERHOME/AmberTools/src. These configure and install MPI versions that
> should work with Amber, and will not interfere with other MPI installations
> you may have.
> ...dac
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Received on Thu Jul 07 2011 - 07:30:07 PDT
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