+100 for setting ioutfm=1. It's really pain to analyze and store text file.
Users tend to follow what developers suggest or set, so this is big favor
for them too.
I am neutral about ntxo=2
Hai
On Friday, February 26, 2016, 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 <javascript:;> |
> ---------------------------------------------------------
>
> Note: Electronic Mail is not secure, has no guarantee of delivery, may not
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Received on Fri Feb 26 2016 - 13:00:03 PST
