NAMD-CUDA GPU workload

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

• Next message: Giacomo Fiorin: "Re: Using restraint on the dye using radius of gyration value in namd"
• Previous message: Life Sciences Inc: "Using restraint on the dye using radius of gyration value in namd"
• Next in thread: David Hardy: "Re: NAMD-CUDA GPU workload"
• Reply: David Hardy: "Re: NAMD-CUDA GPU workload"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

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

• Next message: Giacomo Fiorin: "Re: Using restraint on the dye using radius of gyration value in namd"
• Previous message: Life Sciences Inc: "Using restraint on the dye using radius of gyration value in namd"
• Next in thread: David Hardy: "Re: NAMD-CUDA GPU workload"
• Reply: David Hardy: "Re: NAMD-CUDA GPU workload"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Tue Dec 31 2019 - 23:19:48 CST