Dimitri,
Just for the record, you responded directly to a quote of mine.
Now you say that your objections were to using numbers that appeared in a
different quote by somebody else.
Personally, I think those numbers are indeed applicable. Nobody would think
of doing this on a single CPU, so I'm not sure why you think somebody was
suggesting that.
But either way, I move that we end this thread. The issues and possible
solutions are out on the table, and all of us can now, as they say, "pay
our money and take our choice."
Best,
-P.
On Dec 29, 2016 5:06 PM, "Dimitri Maziuk" <dmaz...@bmrb.wisc.edu> wrote:
> On 12/29/2016 02:35 PM, Peter S. Shenkin wrote:
> > Dimitri,
> >
> > You were the one who suggested that all the structural depictions be
> > generated.
> >
> > I, in contrast, suggested that only the ones users need to look at need
> be
> > generated. I further suggested that these would only constitute a small
> > fraction of those in a large DB.
>
> My objection was to using numbers like
>
> > ... for 92877507
> > structures (current size PubChem Compound):
> > 1s per structure = 1074 days (~3 years)
> > 100 ms per structure = 107 days
> > 1ms per structure = 25 hours
>
> as if they actually mean something.
>
> I responded that *if* the requirement is to generate all 100M
> depictions, making the code faster on a single CPU core is rarely the
> cost-effective solution. That was a purely academic "if" because I don't
> believe that regenerating all the depictions at once on a regular basis
> is a realistic use case, either.
>
> --
> Dimitri Maziuk
> Programmer/sysadmin
> BioMagResBank, UW-Madison -- http://www.bmrb.wisc.edu
>
>
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