Re: [AMBER] error while executing sander.MPI

From: Daniel Roe <>
Date: Thu, 7 Nov 2013 08:30:55 -0700


On Thu, Nov 7, 2013 at 5:52 AM, <> wrote:
> But now we are having problem while executing sander.MPI. It is given
> following error message.
> PML ob1 cannot be selected
> --------------------------------------------------------------------------
> No available pml components were found!
> This means that there are no components of this type installed on your
> system or all the components reported that they could not be used.

This is a problem with your MPI setup, not with sander.

> This is a fatal error; your MPI process is likely to abort. Check the
> output of the "ompi_info" command and ensure that components of this

This appears to be an OpenMPI-related output message, but you say you
are using mpich2. Make sure you have your system set up to use your
mpich2 installation (i.e. your PATH and LD_LIBRARY_PATH both contain
your mpich2 bin and lib directories respectively).


Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Thu Nov 07 2013 - 08:00:03 PST
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