[gmx-developers] Random number blues

David van der Spoel spoel at xray.bmc.uu.se
Thu Apr 21 13:28:05 CEST 2016


On 21/04/16 13:16, Mark Abraham wrote:
> Hi,
>
> Chiefly reproducibility - multiple implementations of the standard
> aren't. See
> http://jenkins.gromacs.org/job/Documentation_Nightly_master/javadoc/doxygen/html-full/group__module__random.xhtml
>
OK, thanks both of you.
> Particularly for new code, we have some quite nice Doxygen documentation
> and machinery to build the latest version and make it available via
> http://manual.gromacs.org/documentation/. It would be good for us all to
> remember to think of that first, and ask each other questions that
> remain :-)
Thanks, that is useful! I was going to build my own documentation to 
check the API but then my code did not compile due to gmx_rng_t having 
disappeared...

>
> Mark
>
> On Thu, Apr 21, 2016 at 12:37 PM David van der Spoel
> <spoel at xray.bmc.uu.se <mailto:spoel at xray.bmc.uu.se>> wrote:
>
>     Hi,
>
>     just finding out that gmx_rng_t has been replaced by C++.
>     Is there any reason to use the new gromacs code rather than the C++11
>     built-in one for simple random numbers?
>     http://en.cppreference.com/w/cpp/numeric/random/uniform_real_distribution
>
>
>     --
>     David van der Spoel, Ph.D., Professor of Biology
>     Dept. of Cell & Molec. Biol., Uppsala University.
>     Box 596, 75124 Uppsala, Sweden. Phone:  +46184714205.
>     spoel at xray.bmc.uu.se <mailto:spoel at xray.bmc.uu.se>
>     http://folding.bmc.uu.se
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-- 
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205.
spoel at xray.bmc.uu.se    http://folding.bmc.uu.se


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