Just some hints (I am currently working on the documentation!)
-at some point we renamed the "mpi" block to "simulation" and the
mpirun from "mpi.cmd" should now be added to
cg.inverse.gromacs.mdrun.command.
-under linux you don't need to specify the number of tasks, as it is
determined automatically
("sed -n '/processor/p' /proc/cpuinfo | sed -n '$='" does the magic)
Of course this default can lead to to "cpu stealing" if you are
sharing your computer with someone ;-) In this case you better specify
it.
Cheers,
Christoph
Am 27. September 2011 17:12 schrieb Valentina <[email protected]>:
> Ooopsie, thank you very much!
>
>
> On Sep 27, 4:06 pm, Victor Ruehle <[email protected]> wrote:
>> Hey,
>>
>> > <mpi>
>> > <tasks>8</tasks>
>> > <cmd>mpirun -np 8 </cmd>
>> > <mpi>
>>
>> you forgot the / for the mpi closing tag. Last line should be </mpi>
>>
>> Best,
>> Victor
>
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