On Sun, Apr 28, 2013, M. L. Dodson wrote:
>
> I can't see how openmp, on its own, would impact queue
> handling. It just implements multiple threads on the same CPU within the same
> process.
Depends on what you mean by "the same cpu": an openmp job *could* be using
multiple cores at times when that conflicted with other expectations, either
from the user or from the queuing system.
But I agree with the general point that we could/should do more to encourage
use of the openmp capabilities of cpptraj and nab. Certainly promoting it
more would be one strategy, short of making openmp the default.
...dac
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Received on Sun Apr 28 2013 - 14:00:02 PDT
