VMD-L Mailing List

From: Morgan Hoffman (mhoffman_at_endormoon.com)
Date: Sat Mar 14 2020 - 19:56:09 CDT

I am helping a graduate student spec out some hardware to run this. She has a limited budget and needs to be mobile.

I see this app is GPU accelerated, but we are weighing between CPU and GPU.

https://www.ks.uiuc.edu/Research/vmd/current/ug/node12.html <https://www.ks.uiuc.edu/Research/vmd/current/ug/node12.html>
https://www.ks.uiuc.edu/Research/vmd/current/ug/node13.html <https://www.ks.uiuc.edu/Research/vmd/current/ug/node13.html>

She is running an average of 25k particle simulation for 1microsecond file sizes looking around 88G

I was debating between:

4cores (hyper threaded) with a 1660ti
6cores (hyper threaded) with a 1650

Storage and RAM are similar and flexible and will like be NVME and 16-32GB

I see a few things mentioned here about the GPU acceleration, does that alleviate the System Memory resources as the computation takes place on the GPU utilizing the video memory?

Sorry to pollute the list with this but we lack the expertise.