AMBER Archive (2008)

Subject: RE: AMBER: Parrallel computing

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Tue Apr 29 2008 - 01:09:44 CDT

Your question is not very clear...

I assume you mean the location of the "parallel executables"? In this case
they will be in $AMBERHOME/exe/ with the suffix .MPI. This of course assumes
you compiled parallel versions of the code as described in the INSTALL file
and manual. There is also $AMBERHOME/exe/pmemd if you built a parallel
pmemd.

If, however, you mean where/how is parallel computation implemented within
the source code then do:

cd $AMBERHOME/src/

grep -i -R "call mpi" *

Good luck,
Ross

> -----Original Message-----
> From: owner-amber_at_scripps.edu [mailto:owner-amber_at_scripps.edu] On Behalf
> Of Chih-Ying Lin
> Sent: Monday, April 28, 2008 5:14 PM
> To: amber_at_scripps.edu
> Subject: AMBER: Parrallel computing
>
>
>
> HI
> Could anyone tell me the location of the codes of Parrallel computing in
> Amber?
>
> Thanks
> Lin
>
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber_at_scripps.edu
> To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu