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

From: Adrian Roitberg <roitberg.ufl.edu>
Date: Tue, 20 Jun 2017 16:30:00 -0400

Right, the seed itself will be system dependent and that is good.

What we do not want is to pick an seed from environment variables such
as jobid, etc (as suggested by others) because THAT process will be
system dependent in terms of 'how to'.

Adrian


On 6/20/17 4:20 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
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber

-- 
Dr. Adrian E. Roitberg
University of Florida Research Foundation Professor
Department of Chemistry
University of Florida
roitberg.ufl.edu
352-392-6972
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Jun 20 2017 - 13:30:02 PDT
Custom Search