On Wed, May 28, 2008, Dirar Homouz wrote:
>
>
> Thanks again. Both systems (serial and parallel) passed the tests. I got it
> to work now by setting igb=1. I'm not sure why is that so.
> The same input file without igb work serially.
OK...still sounds like a bug we need to track down. If you want to run a
vacuum simulation with self-guided Langevin dynamics (not sure why you would
want to do this) set igb=6.
...thanks...dac
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Received on Sun Jun 01 2008 - 06:07:14 PDT
