[gmx-users] mdrun mpi segmentation fault in high load situation

[Wojtyczka, André]

>>
>> I'm not sure that PD has any advantage here. From memory it has to
>> create a 128x1x1 grid, and you can direct that with DD also.
>
>See mdrun -h -hidden for -dd.
>
>Mark
>
>> The contents of your .log file will be far more helpful than stdout in
>> diagnosing what condition led to the problem.
>>
>> Mark
>>
>>>>> So the only difference is the number of cores I am using.
>>>>>

I used -dd but then my system consists only of 4 or slightly more domains
which gives me almost no advantage over -pd. The minimum size of a domain
is connected to the largest bond length which in my case is half of the box
size or more.
I will post my .log file but it will probably be next year.

So merry christmas and a jolly time.
André

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