Re: How to get information of computing time for LJ calculation and pair list generation

From: Hideya Nakamura (hideyanakamura_at_gmail.com)
Date: Wed Mar 17 2010 - 03:32:31 CDT

 Chris,

Thank your so much for your response. I will try to modify the code to
get the timings.
Best, Hideya

___________________________________________________________________
Hideya Nakamura (仲村 英也), Ph.D.
Post Doctoral Associate
University of Florida, Particle Engineering Research Center (PERC)

On Wed, Mar 17, 2010 at 1:06 AM, Chris Harrison <charris5_at_gmail.com> wrote:
> Hideya,
>
> This capability is not available in the general release.  You could get
> timings if you are willing to add the appropriate code and recompile namd.
>
> Let me know if you need further help.
>
> Chris
>
>
>
>
> --
> Chris Harrison, Ph.D.
> Theoretical and Computational Biophysics Group
> NIH Resource for Macromolecular Modeling and Bioinformatics
> Beckman Institute for Advanced Science and Technology
> University of Illinois, 405 N. Mathews Ave., Urbana, IL 61801
>
> char_at_ks.uiuc.edu                            Voice: 217-244-1733
> http://www.ks.uiuc.edu/~char               Fax: 217-244-6078
>
>
>
> On Mon, Mar 15, 2010 at 12:15 PM, Hideya Nakamura <hideyanakamura_at_gmail.com>
> wrote:
>>
>> Dear NAMD users,
>>
>> I am doing NAMD simulation to compare computing performance of NAMD
>> with our MD implementation.
>> I want to know the computing time for LJ calculations and pair list
>> generation in NAMD.
>> I found some lines in .log file, however, they seem to show computing
>> performance of whole MD implementation.
>> Could someone please tell me how to get information of computing time
>> for each calculation part??  Thanks
>>
>> __________________________________________________________________
>> Hideya Nakamura, Ph.D.
>> Post Doctoral Associate
>> University of Florida, Particle Engineering Research Center (PERC)
>>
>
>
>

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