[gmx-users] blue gene running error

Albert mailmd2011 at gmail.com
Sat Apr 28 08:14:14 CEST 2012

hello Makr:
   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.



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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