Waiting time is too long

Shawn Yang shawn.yan... at gmail.com
Fri Mar 18 12:10:15 UTC 2016


Hi Matt,

Many thanks for your reply! I will run an example today.

And I will try to install the libgrid...

Best regards,
Shawn



On Friday, March 18, 2016 at 11:20:23 AM UTC, Matt W wrote:
>
> Hi Shawn,
>
> I'd suggest running a known example - perhaps 
> from cp2k/cp2k/tests/QS/benchmark where there are benchmark files for 
> various sizes of water supercells. Timings for one of those on a given 
> number of cores we can more easily tell if the results are reasonable.
>
> To comment on your actual input we'd need to see all the files. 
>
> I'd strongly doubt it is libgrid that is affecting your speed 
> significantly.
>
> Matt
>
>
> On Friday, March 18, 2016 at 10:58:44 AM UTC, Shawn Yang wrote:
>>
>> Hi Conrad,
>>
>> Thanks for your reply. I am using the High Performance Computing cluster 
>> in Aberdeen University, named Maxwell. Of course it's not as good as 
>> Archer, but the performance cannot be that poor.
>>
>> I am now thinking it is because I don't have libgrid in the environment. 
>> But I find it is rather hard for me to intall that lib.
>>
>> Do you have some advise about the performance? There are too many people 
>> using Archer recently, many times I need to queue a whole week.
>>
>> Best regards,
>>
>> Shawn
>>
>> 在 2016年3月18日星期五 UTC上午8:40:38,Conrad写道:
>>>
>>> Dear Shawn Yang,
>>>
>>> What hardware are you comparing Archer with? 
>>>
>>> Best wishes,
>>> Conrad 
>>>
>>>
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