From: Hyonseok Hwang (hhwang_at_kangwon.ac.kr)
Date: Sun Oct 07 2012 - 01:26:26 CDT
Dear namd users,
I tested two namd 2.9 versions: original version 2.9 (2012-04-30) and version nightly build (2012-10-06). Both are Linux-x86-64-multicore.
If I use the nightly build version, then I see several warning-like messages saying "Inconsistency in fast table energy vs force: .....", which does not appear in original version 2.9 (2012-04-30). And pmf profiles obtained from the umbrella sampling using the nightly build version seem different from what we expect. I wonder if the warning-like messages are related to the machine system I'm using.
I don't know exactly what information I have to provide. My system is composed of:
Intel I7-3930K CPU_at_3.20GHz and Nvidia GTX 690 video card.
If anybody answer or comment on my question, it will be greatly appreciated. And if you need more, please let me know.
Department of Chemistry
Kangwon National University
Chuncheon, Gangwon-do 200-701, Rep. of Korea
This archive was generated by hypermail 2.1.6 : Mon Dec 31 2012 - 23:22:09 CST