From: Chitrak Gupta (chgupta_at_mix.wvu.edu)
Date: Fri Jul 29 2016 - 10:41:32 CDT
I am running a simulation of a peptide in implicit solvent (generalized
born), and I am seeing a strange performance drop *during the run*. The
initial estimates by NAMD are ~ 125ns/day for a 560 atom system on a HPC
using 1 node, 16 processors. But after 24 hours there is only ~ 36ns worth
Has anyone faced this problem before?
This archive was generated by hypermail 2.1.6 : Sun Dec 31 2017 - 23:20:36 CST