The ABINIT Users Mailing List ( CLOSED )

[Chabot Jean-Francois <jfchabot_abinit@yahoo.fr>]

Dear M.T.Storr

  I did a quick test where i used 2 and 4 processors
for the same job and this is what i get as memory
requirement:

2 processors: 2111 Mb
4 processors: 1372 Mb

In your case you use 8 (4244 Mb) and 28 (374 Mb)
processors, so it look like that the memory
requirement its per processors or something reliated
to the number of processor. 


Jean-Francois Chabot
 --- "M.T.Storr" <m.t.storr@reading.ac.uk> a écrit : >
HI,
> 
> I have a quick question concerning Abinit memory
> requirements. I have 
> tried running an identical calculation on two
> different machines as 
> outlined below, however upon running the
> calculations the calculated 
> memory requirements are totally different. As can be
> seen the echoed 
> parameters are identical in both cases except for
> the mkmem variable yet 
> on one system the required memory is said to be 374
> Mb, while on the other it 
> is said to be 4244 Mb. My question is therefore
> where does the mkmem 
> variable come from and why is there such a vast
> difference in the required 
> memory for the same calculation.
> 
> On an IBM SP3 machine with running on 28 processors
> -
> 
>  DATASET    1 : space group P-1 (#  2); Bravais aP
> (primitive triclinic)
>
============================================================================
>  Values of the parameters that define the memory
> need for DATASET  1.
>    intxc =         0  ionmov =         3    iscf =  
>       5     ixc =
> 1
>   lmnmax =         3   lnmax =         3   mband =  
>      34  mffmem =
> 1
>    mgfft =        60   mkmem =        31 mpssoang=  
>       4     mpw =
> 9200
>   mqgrid =      1201   natom =         3    nfft =  
>  216000    nkpt =
> 432
>   nloalg =         4  nspden =         2 nspinor =  
>       1  nsppol =
> 2
>     nsym =         2  n1xccc =      2501   ntype =  
>       2  occopt =
> 1
>
============================================================================
>  This job should need less than                    
> 374.572 Mbytes of
> memory.
>  Rough estimation (10% accuracy) of disk space for
> files :
>  WF disk file :     27.830 Mbytes ; DEN or POT disk
> file :      3.298
> Mbytes.
>
============================================================================
> 
> While on a Linux cluster with 8 processors-
> 
>  DATASET    1 : space group P-1 (#  2); Bravais aP
> (primitive triclinic)
>
============================================================================
>  Values of the parameters that define the memory
> need for DATASET  1.
>    intxc =         0  ionmov =         3    iscf =  
>       5     ixc =
> 1
>   lmnmax =         3   lnmax =         3   mband =  
>      34  mffmem =
> 1
>    mgfft =        60   mkmem =       432 mpssoang=  
>       4     mpw =
> 9200
>   mqgrid =      1201   natom =         3    nfft =  
>  216000    nkpt =
> 432
>   nloalg =         4  nspden =         2 nspinor =  
>       1  nsppol =
> 2
>     nsym =         2  n1xccc =      2501   ntype =  
>       2  occopt =
> 1
>
============================================================================
>  This job should need less than                   
> 4244.696 Mbytes of 
> memory.
>  Rough estimation (10% accuracy) of disk space for
> files :
>  WF disk file :     27.830 Mbytes ; DEN or POT disk
> file :      3.298
> Mbytes.
>
============================================================================
> 
>  

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