Yup - most probable solution, per our overlapping posts, but I don't want to
rush to judgement for pmemd. Whatever we select, of course, if it is
different than what we now have, all our results will change for anything
that uses the rng, which is in some senses everything (since you randomize
velocities following minimization). So there would be a few decisions to
make here.
- Bob
----- Original Message -----
From: "Ross Walker" <ross.rosswalker.co.uk>
To: <amber-developers.scripps.edu>
Sent: Wednesday, May 07, 2008 3:41 PM
Subject: RE: amber-developers: Verlet update time and ntt=3 parallel scaling
> We should probably consider using something like the SPRNG library:
>
> http://sprng.cs.fsu.edu/
>
> This appears to be what most of the hard core physics guys here are using
> for parallel random number generation. It is also open source so could be
> included in the amber tree.
>
>
> /\
> \/
> |\oss Walker
>
> | Assistant Research Professor |
> | San Diego Supercomputer Center |
> | Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
> | http://www.rosswalker.co.uk | PGP Key available on request |
>
> Note: Electronic Mail is not secure, has no guarantee of delivery, may not
> be read every day, and should not be used for urgent or sensitive issues.
>
>
>
>
>
Received on Sun May 11 2008 - 06:07:15 PDT
