[gmx-users] mdrun fatal error

[Beniamino Sciacca]

Ok... the problem is certainly that I made two processes.
But if I made only one process mdrun uses only one cpu...
I want one process (and so I can use constraint forces) that use both cpus.
I know it's possible because I' ve another pc that is working in this 
manner.

Beniamino


Mark Abraham ha scritto:
> Beniamino Sciacca wrote:
>> Dear gmx users,
>> can somebody tell me why I've this problem?
>
> Probably because you don't understand the type of simulation you're 
> trying to do well enough.
>
>> ---------------------------------------------------------------
>> Program mdrun_d, VERSION 3.3.1
>> Source code file: pullinit.c, line: 244
>>
>> Fatal error:
>> Can not do constraint force calculation in parallel!
>>
>> -------------------------------------------------------
>>
>> what can I do?
>
> Don't attempt a constraint force calculation in parallel.
>
> Mark
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