Slow performance over multi-core processor and CUDA build

From: Roshan Shrestha (
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

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