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hello Mar:<br>
thanks a lot for kind reply.<br>
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.<br>
<br>
But I don't know why it doesn't work in the blue gene computer.<br>
<br>
THX<br>
<br>
ALbert<br>
<br>
<br>
<br>
On 04/28/2012 07:36 AM, Mark Abraham wrote:
<blockquote cite="mid:4F9B81DA.5040009@anu.edu.au" type="cite">
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On 28/04/2012 2:04 PM, Albert wrote:
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<font size="+1"><font face="Arial">hello:<br>
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:</font></font><br>
</blockquote>
<br>
Systems with marginally stable initial conditions can do this. See
<a moz-do-not-send="true" class="moz-txt-link-freetext"
href="http://www.gromacs.org/Documentation/Errors#A_charge_group_moved_too_far_between_two_domain_decomposition_steps">http://www.gromacs.org/Documentation/Errors#A_charge_group_moved_too_far_between_two_domain_decomposition_steps</a>.<br>
<br>
Mark<br>
<br>
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