[gmx-users] "nstlist=-1" dosen't work for parallel runs

[LuLanyuan]

He Berk,
I've sent it to the bugzilla. Could you have a look?
Thanks very much!
Lanyuan

From: gmx3 at hotmail.com
To: gmx-users at gromacs.org
Subject: RE: [gmx-users] "nstlist=-1" dosen't work for parallel runs
Date: Thu, 29 Jan 2009 23:32:43 +0100








Hi,

I just tested it and it runs fine for me with 4.0.3.

Which version are you using?

If it is 4.0.3, please file a bugzilla and attach the tpr file.

Berk

From: lulanyuan at msn.com
To: gmx-users at gromacs.org
Date: Thu, 29 Jan 2009 15:07:27 -0500
Subject: [gmx-users] "nstlist=-1" dosen't work for parallel runs








Hi,
Again I have a problem regarding the "nstlist=-1" option and this time it's related to parallel runs.
With the help from Berk, I can run my system with nstlist=-1 option and 1 cpu without any problem. However, each time when I run it using more than one cpu under MPI, the run crashes immediately. The input files are the same for both serial and parallel runs. I tried to change to nstlist=1 and this time it run OK both serial and parallel. So it seems to me there is a problem for the automatic neighbor list updating with parallel runs. I tried both domain decomposition and particle decompostion with "nstlis=-1" and in both cases the run crashed.
Could Berk or anyone else have a look at it?
Thanks very much.
Lanyuan

使用新一代 Windows Live Messenger 轻松交流和共享！ 立刻下载！
What can you do with the new Windows Live? Find out
_________________________________________________________________
MSN资讯快递，帮助你第一时间了解最新资讯！
http://im.live.cn/newsexpress
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20090130/1d757293/attachment.html>