From: Kshatresh Dutta Dubey (kshatresh_at_gmail.com)
Date: Tue Dec 02 2014 - 17:45:32 CST
Hi,
I am using Nvidia GTX 680 gpu for namd (cuda version) run but simulation
speed, as it shows 0.496354 days/ns (~2ns/day) while system has almost
54000 atoms including solvent. Isn't it very slow? Please suggest me to get
proper benchmark.
Regards
Kshatresh
On Wed, Dec 3, 2014 at 1:35 AM, Kshatresh Dutta Dubey <kshatresh_at_gmail.com>
wrote:
> Thanks...I got.
>
> On Wed, Dec 3, 2014 at 1:08 AM, Josh Vermaas <vermaas2_at_illinois.edu>
> wrote:
>
>> Grep around for a "Benchmark" line. They are there.
>> -Josh
>>
>>
>> On 12/02/2014 05:04 PM, Kshatresh Dutta Dubey wrote:
>>
>> Yes, but I found like :
>>
>> WallClock: 569.721008 CPUTime: 569.721008 Memory: 128.992188 MB,
>>
>> Can we get information in simulation time like ns/day or ps/day?
>>
>> On Wed, Dec 3, 2014 at 12:53 AM, Axel Kohlmeyer <akohlmey_at_gmail.com>
>> wrote:
>>
>>> On Tue, Dec 2, 2014 at 5:50 PM, Kshatresh Dutta Dubey
>>> <kshatresh_at_gmail.com> wrote:
>>> > Dear User,
>>> >
>>> > Is there any way to get the information about the simulation speed in
>>> namd?
>>> > I know some package like amber prints the speed of simulation in mdout.
>>>
>>> have you looked at the NAMD output???
>>>
>>> >
>>> > Regards
>>> > Kshatresh
>>> >
>>>
>>>
>>>
>>> --
>>> Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0
>>> College of Science & Technology, Temple University, Philadelphia PA, USA
>>> International Centre for Theoretical Physics, Trieste. Italy.
>>>
>>
>>
>>
>> --
>> With best regards
>>
>> ************************************************************************************************
>> Kshatresh Dutta Dubey
>> Post Doctoral Researcher,
>> Lise Meitner Center for Computational Quantum Chemistry
>> Hebrew University of Jerusalem Israel
>> Jerusalem, Israel
>>
>>
>>
>>
>
>
> --
> With best regards
>
> ************************************************************************************************
> Kshatresh Dutta Dubey
> Post Doctoral Researcher,
> Lise Meitner Center for Computational Quantum Chemistry
> Hebrew University of Jerusalem Israel
> Jerusalem, Israel
>
>
>
-- With best regards ************************************************************************************************ Kshatresh Dutta Dubey Post Doctoral Researcher, Lise Meitner Center for Computational Quantum Chemistry Hebrew University of Jerusalem Israel Jerusalem, Israel
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