AMBER Archive (2008)

Subject: Re: AMBER: timing info output from pmemd

From: Robert Duke (rduke_at_email.unc.edu)
Date: Fri Jul 11 2008 - 07:14:29 CDT

No, and I guess I don't understand why you would want to be able to do that.
Are you looking for variations in the performance of the machine, or what?
In pmemd there is what is basically a parallelization log (logfile), which
is sort of similar to the sander profile file in that it offers summary
parallel performance info. It also has the ability to dump details about
how fft's are being distributed and details about workload redistribution,
including just how much time each processor is spending doing what since the
last workload redistribution. This is intended for working on parallel
performance problems, and the higher dumping levels may not even be
documented (the namelist variable is loadbal_verbose in &cntrl, default 0, 1
gives a bit additional info, by 3 you are getting a whole bunch of detail).
This may not be what you want, but it is what I use to debug parallel
performance problems.
Regards - Bob Duke

----- Original Message -----
From: "Vlad Cojocaru" <Vlad.Cojocaru_at_eml-r.villa-bosch.de>
To: "AMBER list" <amber_at_scripps.edu>
Sent: Friday, July 11, 2008 4:49 AM
Subject: AMBER: timing info output from pmemd

> Dear Bob, amber users,
>
> Is there a way to print timing info (time/mdstep) at regular intervals in
> pmemd (and/or sander) ?
>
> Vlad
>
> --
> ----------------------------------------------------------------------------
> Dr. Vlad Cojocaru
>
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>
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>
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