Running projects configuration (precision, solvent)?

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Running projects configuration (precision, solvent)?

Postby b90ausdfsjk » Sat Nov 11, 2017 5:48 pm

I am putting together a price/performance comparison of running machine personally compared to cloud services. I am using the FAH Benchmark (http://fahbench.github.io/) to get performance information from the systems. This reports performance as number of simulated nanoseconds per day run on that particular system for a particular configuration. The configuration parameters for the benchmark are precision (single or double) and if the solvent e.g. water is explicitly or implicitly modeled. There are large performance differences between the configurations on different cards. These differences actually change the results of the analysis depending on what real projects use.

Which brings me to the question: Do we know what configuration of precision and solvent that real work units use?
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Re: Running projects configuration (precision, solvent)?

Postby toTOW » Sun Nov 12, 2017 11:29 am

As far as I remember, all simulations use explicit solvent. Most of them only require single precision, but a little number use "mixed precision" (which means that most of the computations are single precision, but a few operations require double).
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Re: Running projects configuration (precision, solvent)?

Postby foldy » Sun Nov 12, 2017 5:23 pm

In the FahBench settings the "nav" work unit is a real work unit.

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Re: Running projects configuration (precision, solvent)?

Postby toTOW » Sun Nov 12, 2017 6:20 pm

Since it is possible to add your own data to FAHBench, I imported some real work units from FAH ;)
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Re: Running projects configuration (precision, solvent)?

Postby b90ausdfsjk » Mon Nov 13, 2017 10:39 am

Thank you for the replies! Any idea what be the correct sub-forum to post the analysis on?

Could you point me at the documentation on how to import work units from FAH? Or is it fairly simple?
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