[MMTK] MMTK news

Konrad Hinsen hinsen@cnrs-orleans.fr
Mon, 26 Jun 2000 17:27:59 +0200

As promised a while ago, here is a short overview of what happened
to MMTK while the mailing list was down.

The current development release is MMTK 2.1.1, available at


This differs from MMTK 2.0 (still the official "stable" release)
mostly by two features: thread support, already present in MMTK 2.1.0
(which was announced here, but the announcement was lost in the
archive due to the crash, so it's worth repeating), and MPI--based
parallelization support for energy evaluation.

Thread support should work on all platforms that support threads in
Python, although I have tested it only under Linux. It is useful for
parallelization on shared-memory multiprocessor machines, and also for
running interacting MMTK tasks in parallel (you could, for example,
run an MD simulation and have another thread that periodically writes
the current configuration to a file for viewing). For details see
the MMTK User's Guide.

MPI parallelization makes sense only if you have a multiprocessor
machine with MPI installed. It relies on MPI support in
ScientificPython, which is available in the development releases only
for the moment. So you should immediately pick up a copy of
ScientificPython 2.1.1 as well, available from


Again this should work on all platforms that support MPI, but has
been tested only under Linux.

I'd be interested in any feedback on these new features, especially
from people using something else than Linux.

Konrad Hinsen                            | E-Mail: hinsen@cnrs-orleans.fr
Centre de Biophysique Moleculaire (CNRS) | Tel.: +33-
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