Consulting about buying new hardware (GPU)

From: michael zhenin (
Date: Tue Jul 10 2018 - 03:44:31 CDT

Hi all,

We are interested in buying new GPU card for simulating relatively big
systems (more than 300K atoms) using NAMD 2.12 version.
Currently we have one P100 card (with 16 "real" cpu cores) that is quite
fast - around 10 ns/day for that system size.
We were wondering if there is any recommendation/experience with other
cards that will speed up the simulation time. Specifically, V100 PCIE,
TITAN-V ,or GTX-1080TI.

Many thanks,


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