NAMD-CUDA GPU workload

From: Yu Zhou (zylp2006_at_gmail.com)
Date: Mon Apr 02 2018 - 10:11:51 CDT

Dear NAMD users,

I was running simulation on an 70,000-atom system of an ion channel (KcsA)
using NAMD 2.12 for Win64-multicore-CUDA on a desktop with an AMD 8-core
CPU and a GTX-1080 graphic card by:

"NAMD2 +p8 kcsa.conf > kcsa.log". I noticed that the workload of GPU was
only ~20% during the whole simulation process. I am wondering if there was
any way I could increase the workload of GPU to accelerate simulation.

Thanks for your help.

Yu Zhou

Dept. of Anesthesiology

WUSM

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