[Pw_forum] why my pw.x run with low efficiency?

vega vegalew at hotmail.com
Sun Sep 21 11:44:15 CEST 2008


Dear sir,

thank you for your advice.

I set the ourdir at local disk following your suggestions. and I also set 
the disk_io='none'
and no wf_collect options. But the pw.x still run at low efficiency.
I think it's most probable because of lack of memory. Most of time was 
wasted by exchanging the
data between the virtual memory and physical memory. So could you estimate 
that how many memory
will be good enough for 40 [TiO2] units( 120 atoms)?

vega

=================================================================================
Vega Lew (weijia liu)
PH.D Candidate in Chemical Engineering
State Key Laboratory of Materials-oriented Chemical Engineering
College of Chemistry and Chemical Engineering
Nanjing University of Technology, 210009, Nanjing, Jiangsu, China

--------------------------------------------------
From: "Lorenzo Paulatto" <paulatto at sissa.it>
Sent: Saturday, September 20, 2008 2:41 PM
To: "PWSCF Forum" <pw_forum at pwscf.org>
Subject: Re: [Pw_forum] why my pw.x run with low efficiency?

>
> On Sab, Settembre 20, 2008 05:30, vega wrote:
>>  Do you think I should copy the compilers, MKL, fftw, mpi, and QE files 
>> to
>>  local disk for every node? Do you think this will reduce the IO greatly?
>>
>
> No, I don't think it would change at all (maybe a few seconds at the
> beginning of the job)
>
> -- 
> Lorenzo Paulatto
> SISSA  &  DEMOCRITOS (Trieste)
> phone: +39 040 3787 511
> skype: paulatz
> www:   http://people.sissa.it/~paulatto/
>
>
>
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