VMD-L Mailing List

From: jrhau lung (jrhaulung_at_gmail.com)
Date: Wed Nov 16 2016 - 23:58:37 CST

Dear VMD friends:
     When running MD simulation using QwikMD, a low GPU usage (well below
30%) was found when checked by nvidia-smi -l command in terminal. Is this
normal? Is there a way to improve the GPU usage and booster up the
simulation?

sincerely,

Jrhau

The following is the hardward and software in my computer.
1.VMD 1.9.3 beta 1 (LINUX_64 OpenGL, CUDA, TachyonL-OptiX
<http://www.ks.uiuc.edu/Development/Download/download.cgi?UserID=&AccessCode=&ArchiveID=1420>
)
2. NAMD 2.11 (Linux-x86_64-multicore-CUDA
<http://www.ks.uiuc.edu/Development/Download/download.cgi?UserID=&AccessCode=&ArchiveID=1399>
)
3. NVIDIA Linux driver (LINUX X64 (AMD64/EM64T) DISPLAY DRIVER 367.48)
4. Cuda 8.0 linux toolkit 14.04
in Xeon E5-2670 + GTX970 desktop computer with OS=Ubuntu 16.04 LTS