AMBER Archive (2003)

Subject: Re: mm_gbsa: Unit 5 Error on OPEN: sander_com.in

From: Michael Ford (mford_at_ccrc.uga.edu)
Date: Wed Jan 15 2003 - 12:00:34 CST

I think that I looked, and the code for this is not parallelized (amberites?? what
do you think?)

Giulio Rastelli wrote:

> Dear Michael,
> in your mpi version of mm_pbsa, is it possible to set more than 1
> processor,
> i.e. have parallelization. That would be a very good news.
> Best regards,
> Giulio
>
> Michael Ford wrote:
> >
> > I actually have a version of mmpbsa that I've modified
> > for use with mpi. (Basically it sets the number of processors to 1 within the
> > script) I will send this if you want.
> >
> > Mike Ford