On Tue, Jun 20, 2017, Adrian Roitberg wrote:
> One can, but again, that is system dependent, so we do not want to
> depend on that.
I'm lost here: we expect the results for ig=-1 to be system dependent, since
surely gettimeofday() is implemented in different ways on different hardware.
The key design goal is not to end up with duplicate seeds; once you have a
seed, it gets printed in the output file, and you can use that to re-run the
job if needed.
But whether or not the particular seed chosen is system dependent or not seems
irrelevant(?)
Here's my idea: we set up a web server that keeps a list of all seeds that
have ever been used for any Amber simulation. Then pmemd can interrogate that
database at startup, and make sure that it is using a seed that has never been
used before.
....dac
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Received on Tue Jun 20 2017 - 13:30:02 PDT
