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 13:51:50 -0700

There must be a general enough way to get an id for a machine, e.g. its
MAC address.

Bill


On 6/20/17 1:30 PM, Adrian Roitberg wrote:
> 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
>>
>>
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Received on Tue Jun 20 2017 - 14:00:03 PDT
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