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.
Alex
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.petros...@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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