NAMD doesn't use my CUDA enabled GPU

From: Rimon Riju (
Date: Tue Oct 06 2020 - 01:17:45 CDT

I have installed NAMD's latest CUDA version for GPU accelerated Molecular
dynamics simulation.
The configuration of my PC is given below;
Processor ; Intel tenth generation 10900K 20 threads
GPU: Nvidia Geforce RTX 2080Ti 11GB
RAM: 64 GB
SSD:1 TB NVME Samsung
OS: Windows
when i use command +device 0 , it doesn't show any GPU usage. I have only
one card installed on my system. I rechecked my CUDA toolkit for an Nvidia
card. It was compiled well . During MD run neither CPU nor GPU works more
than 10 percent.
I don't know what to do? Can anyone please help me there?

Md. Rimon Parves
Senior Research Assistant
Red-Green Research Center
Former graduate student
Dept. of Biochemistry & Biotechnology
University of Science and Technology Chittagong (U.S.T.C)
Contact: +8801719270674
LinkedIn <> , ORCID iD

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