Hi Chimera users, Is there any way to run Chimera functions such as energy minimization in multiple processor machines ? Cheers, -- R. Charbel MAROUN, PhD, HDR Neurobiologie et Pharmacologie Moléculaire Centre de Psychiatrie et de Neurosciences Broca-Sainte Anne (INSERM U894) 2ter rue d'Alésia 75014 Paris FRANCE Tél. +33 1 40 78 92 77 Fax +33 1 45 80 72 93 e-mail rmaroun@gmail.com charbel.maroun@inserm.fr
On 9 Sep 2010, at 16:51, r charbel maroun wrote:
Is there any way to run Chimera functions such as energy minimization in multiple processor machines ?
I can only answer for energy minimization, as this functionality is provided by MMTK. MMTK can use multiple threads for energy evaluation, which is what takes most of the time in minimization. You can define the number of threads to be used via the environment variable MMTK_ENERGY_THREADS. How exactly you would set this variable depends on your platform and personal configuration. Konrad. -- --------------------------------------------------------------------- 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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