MD Simulation of accelerated MD using GPU

From: jeevan gc (gcjeevanbdr_at_gmail.com)
Date: Mon Oct 12 2015 - 17:07:39 CDT

Dear all,

In my protein membrane system of 121416 atoms,
When I use 16 CPU +1 GPU, the total time is 3 days for 20ns for the regular MD.
For the same system it takes 6 days to run 20ns accelerated MD.

Why accelerated MD is slow in GPU? I am using NAMD2.10

Thank you.

This archive was generated by hypermail 2.1.6 : Thu Dec 31 2015 - 23:22:06 CST