[MMTK] serializing normal modes across MMTK versions

Konrad Hinsen research at khinsen.fastmail.net
Wed Oct 5 12:37:45 UTC 2011

On 4 oct. 11, at 13:37, Edvin Fuglebakk wrote:

> I would like to communicate serialized normal modes (calculated with MMTK) between computational environments, with possibly different versions of python and MMTK. Is there are recommended way for doing this. The MMTK.save and MMTK.load function seems to be sensitive to the python / MMTK configuration.

I didn't try, but in theory, MMTK.load/save (which end up using Python's pickle module) should be portable between environments as long as all machines use NumPy rather than the old Numeric. With Numeric, the formats were different between 32-bit and 64-bit machines, but also portable within each category. Serialized arrays are never exchangeable between Numeric and NumPy.

One more reason to switch to NumPy for those who didn't make the transition yet!

Konrad Hinsen
Centre de Biophysique Moléculaire, CNRS Orléans
Synchrotron Soleil - Division Expériences
Saint Aubin - BP 48
91192 Gif sur Yvette Cedex, France
Tel. +33-1 69 35 97 15
E-Mail: research at  khinsen dot fastmail dot net

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