From: Chris Harrison (char_at_ks.uiuc.edu)
Date: Sat Jan 24 2009 - 16:36:34 CST
Artem,
We must *strongly* emphasize that the current gpu support in the namd2 cvs
is NOT capable of successfully running proper production simulations of
biomolecules as it is missing several important "pieces" such as 1-4
exclusions (which Peter has already noted once).
Please do not expect to be able to run production simulations with the
current code.
Code capable of running production simulations of biomolecules should be
available within 3 months.
C.
-- Chris Harrison, Ph.D. Theoretical and Computational Biophysics Group NIH Resource for Macromolecular Modeling and Bioinformatics Beckman Institute for Advanced Science and Technology University of Illinois, 405 N. Mathews Ave., Urbana, IL 61801 char_at_ks.uiuc.edu Voice: 217-244-1733 http://www.ks.uiuc.edu/~char Fax: 217-244-6078 On Fri, Jan 23, 2009 at 8:28 PM, Axel Kohlmeyer <akohlmey_at_cmm.chem.upenn.edu > wrote: > > On Fri, 23 Jan 2009, Artem Zhmurov wrote: > > AZ> Hi everybody, > AZ> > AZ> I have been trying to find CUDA version of NAMD in repository, but > AZ> never succeed. Could you please tell me if it is in the same > AZ> repository as a CPU version and if it is, what version should I > AZ> checkout to get it. > > artem, > > it is not quite clear what you mean by "checking out a version". > you just check out the sources from the (read-only) cvs archive > and compile it. there are no branches in that repository. > > check out the --with-cuda option to the ./config script. > > cheers, > axel. > > AZ> > AZ> Thanks, > AZ> Artem > AZ> > > -- > ======================================================================= > Axel Kohlmeyer akohlmey_at_cmm.chem.upenn.edu http://www.cmm.upenn.edu > Center for Molecular Modeling -- University of Pennsylvania > Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323 > tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425 > ======================================================================= > If you make something idiot-proof, the universe creates a better idiot. > >
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