Can LAMMPS run on NVIDIA GTX 680 graphics cards?

Hi,

From the information on the LAMMPS web-site and previous posts on the mailing list I understand that it should be possible to run LAMMPS on NVIDIA GTX 680 graphics cards.

Is this correct? Does anybody have experience with this type of set-up?

We have such a card with 4 Go memory allowing for processing of 1500 parallel threads and consider using it for LAMMPS in combination with RedHat 5.5. Is this a suitable set-up for polymer coarse-grain simulations of larger assemblies? If so, up to which size of assemblies could be treated conveniently?

Thank you in advance for your help.

Best regards, Anke Steinmetz

                Hi,

                From the information on the LAMMPS web-site and previous
posts on the mailing list I understand that it should be possible to run
LAMMPS on NVIDIA GTX 680 graphics cards.

                Is this correct?

yes. for GPU accelerated features.

Does anybody have experience with this type
of set-up?

                We have such a card with 4 Go memory allowing for processing
of 1500 parallel threads and consider using it for LAMMPS in combination
with RedHat 5.5. Is this a suitable set-up for polymer coarse-grain
simulations of larger assemblies?

what is "larger"?

If so, up to which size of assemblies
could be treated conveniently?

there is not a simple answer to this. there are many factors that matter.
- are you ok with using (fully or partially) single precision math?
- what kind of host machine are you running in? how many CPU cores and
GPUs does that machine host?
- do you care about capability (run individual simulations as fast as
possible) or capacity (run multiple simulations as efficient as
possible)?
- do you just improve utilization of a given machine, or are you
worried about maximizing the value of a new investment?
- do you share the machine you are running on with other calculations
or do you have exclusive access?
- have you checked that you don't need to use any feature that
collides with the GPU acceleration?

axel.