>AFAIK OB checks all
>fingerprints in a list one by one so there is much room for
>improvement.
That is a killer for OpenCL on the GPU, because there is a considerable penalty
for moving memory between Host and Device (GPU). Generally, you want to move
large blocks of memory and do as much as po
On Thu, Jul 12, 2012 at 6:40 PM, Chris Swain wrote:
> Thanks for the input Geoff.
>
> The example I saw was a proprietary similarity search, I've no idea if a
> similar increase is speed would be possible for fastsearch?
I'm currently working on improving the algorithm for fastsearch like
operat
This seems like a good compromise to me, especially if it means we see
it sooner ...
Quoting JP on Thu, 12 Jul 2012 19:07:06 +0100:
> A sidepoint from GPU development - and directly related to Geoff's
> earlier point.
>
> Perhaps multicore awareness is the way to go...
>
> In the most reducti
A sidepoint from GPU development - and directly related to Geoff's
earlier point.
Perhaps multicore awareness is the way to go...
In the most reductionist of approaches -- you could launch n threads
(instead of one) and have each generate a conformer each since these
are really independent proces
Hi Chris,
On 12.07.2012 13:16, Geoff Hutchison wrote:
I've just seen a demo of the impact of running applications on the
GPU and it does seem for some operations you can get striking
performance gains. Would it be worth considering porting openbabel to
OpenCL?
Much like muti-threading, it's
Thanks for the input Geoff.
The example I saw was a proprietary similarity search, I've no idea if a
similar increase is speed would be possible for fastsearch?
Cheers,
Chris
On 12 Jul 2012, at 13:16, Geoff Hutchison wrote:
>> I've just seen a demo of the impact of running applications on the
> I've just seen a demo of the impact of running applications on the GPU and it
> does seem for some operations you can get striking performance gains. Would
> it be worth considering porting openbabel to OpenCL?
Much like muti-threading, it's not clear how some operations in Open Babel
would w
I've just seen a demo of the impact of running applications on the GPU and it
does seem for some operations you can get striking performance gains. Would it
be worth considering porting openbabel to OpenCL?
Chris
--
Liv
