I've advocated this for a long time.
#ifdef BINTRAJ
ioutfm = 1
#else
ioutfm = 0
#endif
-Dan
On Fri, Feb 26, 2016 at 1:12 PM, Ross Walker <ross.rosswalker.co.uk> wrote:
> Hi All,
>
> We still have ioutfm=0 as default in git master for pmemd.
>
> Is there any reason we couldn't make ioutfm=1 the default for AMBER 16? This can give some real performance benefits, especially on systems shared filesystems.
>
> Secondary question - could we also make ntxo=2 default at the same time? (not as critical now ntwr = nstlim by default).
>
> All the best
> Ross
>
> /\
> \/
> |\oss Walker
>
> ---------------------------------------------------------
> | Associate Research Professor |
> | San Diego Supercomputer Center |
> | Adjunct Associate Professor |
> | Dept. of Chemistry and Biochemistry |
> | University of California San Diego |
> | NVIDIA Fellow |
> | http://www.rosswalker.co.uk | http://www.wmd-lab.org |
> | Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
> ---------------------------------------------------------
>
> 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.
>
>
> _______________________________________________
> AMBER-Developers mailing list
> AMBER-Developers.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber-developers
--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
_______________________________________________
AMBER-Developers mailing list
AMBER-Developers.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber-developers
Received on Fri Feb 26 2016 - 12:30:05 PST
