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 13:57:37 -0700

Maybe Monsanto or someone will start patenting seeds..

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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Received on Tue Jun 20 2017 - 14:00:04 PDT
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