Re: [AMBER] Duplicate random seeds with ig=-1 Code enhancement to think about, perhaps

From: Bill Ross <ross.cgl.ucsf.edu>
Date: Tue, 20 Jun 2017 13:50:18 -0700

> we set up a web server that keeps a list of all seeds that have ever been used for any Amber simulation

Good idea, done in a general way here:

https://www.guidgenerator.com/

Bill

On 6/20/17 1:20 PM, David Case wrote:
> 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 - 14:00:02 PDT
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