The ABINIT Users Mailing List ( CLOSED )

[Yu Chol Jun <yucj@ghi.rwth-aachen.de>]

Dear all,

I want to confirm how to estimate the total storage necessary for the 
calculation. I thought we can see it from .out file.

Symmetries : space group P1 (#  1); Bravais aP (primitive triclinic)
================================================================================
 Values of the parameters that define the memory need of the present run
   intxc =         0  ionmov =         2    iscf =        17     ixc = 
      15
  lmnmax =         8   lnmax =         4   mband =       479  mffmem = 
        1
P  mgfft =       150   mkmem =         1 mpssoang=         2     mpw = 
   15895
  mqgrid =      3001   natom =       276    nfft =    540000    nkpt = 
        1
  nloalg =         4  nspden =         1 nspinor =         1  nsppol = 
        1
    nsym =         1  n1xccc =         1  ntypat =         2  occopt = 
        1
 PAW method is used; the additional fine FFT grid is defined by:
   mgfftf=       216    nfftf =   1749600
================================================================================
P This job should need less than                     887.891 Mbytes of 
memory.
  Rough estimation (10% accuracy) of disk space for files :
  WF disk file :    116.178 Mbytes ; DEN or POT disk file :     13.350 
Mbytes.
================================================================================

In this out file, the total memory is 887.891 MB, this means when I 
perform this job, I need only 887.891 MB. Now I am wondering if I need 
more virtual memory.

Best regards,

Yu.