Slow performance over multi-core processor and CUDA build

From: Roshan Shrestha (roshanpra_at_gmail.com)
Date: Tue Jul 28 2020 - 05:01:14 CDT

Hi everyone,
                    I have a system with i7 9700k 8 core processor and rtx
2070 Nvidia GPU. My namd is cuda build; but I am extremely disappointed
with its performance as it gives me like 0.21 ns/ day while with the same
system gromacs give me the performance of more than 300 ns/day. I really
can't fathom what's the issue here as namd2 is using the GPU when I see the
GPU processes using nvidia-smi. The command I typically use to run the
simulation is:

*namd2 +p8 .... .conf | tee .... .log *
Do I need to specify anything extra in the command? or in my configuration
file. Thanks.

With best regards 

-- 
*Roshan Shrestha*
M.Sc (Physics)
Central Department of Physics, Tribhuvan University
Kathmandu, Nepal

This archive was generated by hypermail 2.1.6 : Fri Dec 31 2021 - 23:17:09 CST