hello Mar:
thanks a lot for kind reply.
From the link you you mentioned, it seems that this problem comes
from the MD system itself. However, it goes well in my workstation.
Moreover, I visualized and analyzed the results from my workstation
running, everything goes well. I don't find any problem with it.
But I don't know why it doesn't work in the blue gene computer.
THX
ALbert
On 04/28/2012 07:36 AM, Mark Abraham wrote:
On 28/04/2012 2:04 PM, Albert wrote:
hello:
I am running NPT on a blue gene cluster, but the jobs always failed
with following messages. However, everything goes well if I run it on
my local cluster:
Systems with marginally stable initial conditions can do this. See
http://www.gromacs.org/Documentation/Errors#A_charge_group_moved_too_far_between_two_domain_decomposition_steps.
Mark
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