[gmx-developers] question about gromacs-5.0 code

Mark Abraham mark.j.abraham at gmail.com
Tue Aug 19 07:19:00 CEST 2014


On Mon, Aug 18, 2014 at 11:50 PM, David van der Spoel <spoel at xray.bmc.uu.se>
wrote:

> On 2014-08-19 04:55, xiexiaobin at sjtu.edu.cn wrote:
>
>> I read the source code of gromacs-5.0 and find some code like this:
>> case nbnxnk4x4_PlainC:
>> ...
>> case nbnxnk4xN_SIMD_4xN:
>> ...
>> case nbnxnk4xN_SIMD_2xNN:
>> ...
>> case nbnxnk8x8x8_CUDA:
>> ...
>> case nbnxnk8x8x8_PlainC:
>> ...
>> Could you tell me what do these
>> items(nbnxnk4x4_PlainC,nbnxnk4xN_SIMD_4xN,nbnxnk4xN_
>> SIMD_2xNN,nbnxnk8x8x8_CUDA,nbnxnk8x8x8_PlainC)
>> mean?
>>
> Different optimizations depending on architecture.
>
>
See http://www.sciencedirect.com/science/article/pii/S0010465513001975 for
background

Mark


>
>> ------------------------------------------------------------------------
>> xiexiaobin at sjtu.edu.cn
>>
>>
>>
>
> --
> 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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