[gmx-users] mdrun stopped without error

Alex nedomacho at gmail.com
Mon Aug 6 01:29:07 CEST 2018

To be fair, Gromacs does die with absolutely nothing in all logs once in 
a while, and it is not due to queue management, of which we have none. 
In my case, with a 100% probability, it happens when the setup is 
garbage, like your boundaries are crap, or you mixed up angstroms with 
nanometers in your custom nonbonded interactions, etc, etc.

This is a very useful post everyone should read.


On 8/5/2018 1:19 PM, Mark Abraham wrote:
> Hi,
> Both the log file and the street output have the reason if GROMACS
> understands the reason. Most likely on the information you've given is that
> the queue/cluster killed the job.
> Mark
> On Sat, Aug 4, 2018, 08:31 Atila Petrosian <atila.petrosian at gmail.com>
> wrote:
>> Hi all,
>> I am doing md simulation. But mdrun stopped without any error in log file.
>> I repeated it. But mdrun stopped again in another step.
>> What is the reason of stopping.
>> Best,
>> Atila
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