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

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Wed, 21 Jun 2017 08:42:11 -0400

One last option that I don't think has been mentioned yet: if you
absolutely want to make sure you use a different random seed for
multiple jobs you can always set 'ig' manually for each one according
to whatever scheme you like.

-Dan

On Tue, Jun 20, 2017 at 7:41 PM, Bill Ross <ross.cgl.ucsf.edu> wrote:
>> Another way to guarantee uniqueness is serialize access to a generator at startup, which could be on one node.
>
> Or you could have a voting scheme that would harvest the entropy between
> the nodes (but still produce seeds serially).
>
> Bill
>
> On 6/20/17 1:55 PM, Bill Ross wrote:
>> > https://www.guidgenerator.com/
>>
>> Oops, I spoke too soon, I assumed they were guaranteed to be unique.
>>
>> Another way to guarantee uniqueness is serialize access to a generator
>> at startup, which could be on one node.
>>
>> Bill
>>
>>
>> On 6/20/17 1:50 PM, Bill Ross wrote:
>>>> 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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-- 
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
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Received on Wed Jun 21 2017 - 06:00:13 PDT
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