[gmx-users] GPU acceleration

[Alex]

Hi all,

We're about to start a bit of a toy project to test GPU-accelerated GMX.
What I have here is my old workstation (Dell Precision T3500: Quad-core
 Xeon W3530 @ 2.8 GHz, 12 gigs of RAM) running Linux Mint 17.1. The plan is
to get something like GeForce GTX 750 (
http://www.amazon.com/GeForce-750Ti-GDDR5-Graphics-GTX750TI-OC-2GD5/dp/B00IB9P1KG/ref=sr_1_3?ie=UTF8&qid=1433529993&sr=8-3&keywords=Nvidia+GTX750
)
and maybe a new PSU.

Questions:

1. With a card like this, how much acceleration (very approximately) can we
expect in a "standard" simulation (protein+lipid+water, PME electrostatics)?

2. Should we put any extra considerations into cooling? We expect week-long
runs, and I am not sure these cards have this type of hardcore gaming in
mind. :)

Any additional comments are highly appreciated. Please keep in mind that
this is a toy project to utilize an old workstation.

Thank you,

Alex