From: Yingzhe Liu (yingzhe.cn_at_gmail.com)
Date: Sun Dec 19 2010 - 08:21:11 CST
Dear NAMD users,
REMD simulation was running parallel in our cluster but
the outputs were suspended at the beginning of simulation,
i.e. after few steps. I kill the namd2 processes and then
repeat the same job. The outputs are still suspended but
at different steps. This problem may be come from the connect
between replicas.I have no idea how to solve problem.
The version of NAMD is 2.7b2. The platform is Linux-x86_64
-ibverbs (InfiniBand via OpenFabrics OFED, no MPI needed).
The output of one replica and job log are attached.
Thanks in advance!
-- Yingzhe Liu Ph.D. Student of Analytical Chemistry Chemistry Department, Nankai University Tianjin, P.R.China, 30071 Tel: +86-022-23509425 Web: http://chinfo.nankai.edu.cn/
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:56:29 CST