From: Abhishek TYAGI (atyagiaa_at_connect.ust.hk)
Date: Thu Apr 05 2018 - 09:53:36 CDT
Hi,
i am working on graphene-lipid system for coarse grain MD and I have encountered a strange problem (might be i don't understand it correctly). i need your suggestions to understand what is causing warning.
During MD, when I run a system on CUDA based GPU (+p32; 4 GPU) system I encounter following error:
Warning: Low global CUDA exclusion count! (6547 vs 6552) System unstable or pairlistdist or cutoff too small.
i understand it is due to the reasons explained here http://www.ks.uiuc.edu/Research/namd/mailing_list/namd-l.2013-2014/3253.html, http://www.ks.uiuc.edu/Research/namd/mailing_list/namd-l.2009-2010/2786.html
and here http://www.ks.uiuc.edu/Research/namd/mailing_list/namd-l.2010-2011/3814.html
Although, when I run this same system on my linux PC I don't observe this error (+p8 1 GPU) and MD runs smoothly without any error or warning.
Can any one please explain what I am missing here or what is potential problem I need to fix.
Thanks in advance
Abhi
Abhishek Tyagi, PhD
Chemical and Biological Engineering
Hong Kong University of Science and Technology
Clear Water Bay, Hong Kong
This archive was generated by hypermail 2.1.6 : Mon Dec 31 2018 - 23:20:58 CST