[gmx-developers] small bug in tune_pme gromacs 2016

Kutzner, Carsten ckutzne at gwdg.de
Thu Mar 9 15:33:56 CET 2017


Hi,

> On 9 Mar 2017, at 14:25, Åke Sandgren <ake.sandgren at hpc2n.umu.se> wrote:
> 
> It's one typo , missing " ",
there should be no issue here since the string in question comes with its
own space - have you checked the generated command line, it should be
correct (in my opinion :)

Carsten

> and a fix for the gpu detection in
> tune_pme, since the output has changed since the original code was
> written and OpenCL support has been added.
> 
> patches attached, they are very small
> 
> 
> On 03/09/2017 02:13 PM, Kutzner, Carsten wrote:
>> Hi,
>> 
>> what kind of bug is this?
>> 
>> Carsten
>> 
>> 
>>> On 9 Mar 2017, at 14:10, Åke Sandgren <ake.sandgren at hpc2n.umu.se> wrote:
>>> 
>>> Never got any reply to this. And the bugs are still present in 2016.2
>>> 
>>> On 10/14/2016 09:01 PM, Åke Sandgren wrote:
>>>> Hi!
>>>> 
>>>> Been a while since i submitted a patch to gerrit, so i've forgotten
>>>> which branch to use.
>>>> 
>>>> The bug is in GROMACS 2016 in tune_pme, patch is ready and working for
>>>> my simple tests at least.
>>>> 
>>>> And i guess you want an issue created for it first, even though is very
>>>> small.
>>>> 
>>>> (There is a typo and in incorrect GPU detection in tune_pme)
>>>> 
>>> 
>>> -- 
>>> Ake Sandgren, HPC2N, Umea University, S-90187 Umea, Sweden
>>> Internet: ake at hpc2n.umu.se   Phone: +46 90 7866134 Fax: +46 90-580 14
>>> Mobile: +46 70 7716134 WWW: http://www.hpc2n.umu.se
>>> -- 
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>> 
> 
> -- 
> Ake Sandgren, HPC2N, Umea University, S-90187 Umea, Sweden
> Internet: ake at hpc2n.umu.se   Phone: +46 90 7866134 Fax: +46 90-580 14
> Mobile: +46 70 7716134 WWW: http://www.hpc2n.umu.se
> <GROMACS-2016_fix_threads_version_check.patch><GROMACS-2016_fix_tune_pme_gpu_support_detection.patch>-- 
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