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["Anglade Pierre-Matthieu" <anglade@gmail.com>]

If you can use a parallel version. The parallelisation ovber k-point
reduce fdramatically the memory needs per nodes.
regards
PMA

On 12/10/06, pablo <pablod@fq.edu.uy> wrote:
> Hi,
>
>          I have used mffmem=0 to reduce a little the mem (700mb to 500mb), I
> will be happy to hear something better, mem is a huge problem...
>
> regards,
>
>                    pablo
>
> ----- Original Message -----
> From: <mailoliver@163.com>
> To: <forum@abinit.org>
> Sent: Monday, December 11, 2006 3:48 AM
> Subject: [abinit-forum] too much memory demand
>
>
> > Dear all:
> >
> > I try to calculate the optical property of BaO in b1 phase. I modify the
> > input file of toptic_1.in. And I have done convergence studies for
> > ecut(37.5Hatree). When I set ngkpt=15*15*15, it needs more than 10G
> > memory. How can I reduce the memory demand?
> >
> > best wish
> >
> > tieyu lv
> >
> > my input::
> > **************************************
> > ndtset 6
> >
> >   iscf1  3
> > #  nband1  13
> >  nstep1 9999
> > kptopt1 1
> > nbdbuf1 0
> > prtden1 1   getden1 0   getwfk1 0    ! Usual file handling data
> > toldfe1 1.0d-6
> >
> > #Second dataset : NSC run with large number of bands, and points in the
> > IBZ
> >    iscf2 -2
> >   nband2  24
> >   nstep2 9999
> >  kptopt2  1
> >  getwfk2  1   getden2 1
> >  tolwfr2 1.0d-20
> >
> > #Third dataset : NSC run with large number of bands, and points in the the
> > full BZ
> >    iscf3 -2
> >   nband3  24
> >   nstep3 9999
> >  kptopt3  2
> >  getwfk3  2   getden3 1
> > tolwfr3 1.0d-20
> >
> > #Fourth dataset : ddk response function along axis 1
> >   iscf4 -3
> >  nband4  24
> >  nstep4  1  nline4  0
> > kptopt4  2
> >
> >   nqpt4  1  qpt4  0.0d0 0.0d0 0.0d0
> >  rfdir4  1 0 0
> > rfelfd4  2
> > getwfk4  3
> > tolwfr4 1.0d-20
> > nbdblock4 4
> > wfoptalg4 1
> >
> > #Fifth dataset : ddk response function along axis 2
> >   iscf5 -3
> >  nband5  24
> >  nstep5  1  nline5  0
> > kptopt5  2
> >
> >   nqpt5  1  qpt5  0.0d0 0.0d0 0.0d0
> >  rfdir5  0 1 0
> > rfelfd5  2
> > getwfk5  3
> > tolwfr5 1.0d-20
> > nbdblock5 4
> > wfoptalg5 1
> >
> > Sixth dataset : ddk response function along axis 3
> >   iscf6 -3
> >  nband6  24
> >  nstep6  1  nline6  0
> > kptopt6  2
> >
> >   nqpt6  1  qpt6  0.0d0 0.0d0 0.0d0
> >  rfdir6  0 0 1
> > rfelfd6  2
> > getwfk6  3
> > tolwfr6 1.0d-20
> > nbdblock6 4
> > wfoptalg6 1
> >
> >
> > #Data common to all datasets
> > nshiftk 1
> > shiftk
> >         0.0 0.0 0.0
> > ngkpt  3*15
> >
> > acell   3*1.0493241067E+01
> > amu 137.33 15.9994
> > diemac 12.0
> > ecut 37.5
> > iscf 3
> > natom  2  nbdbuf 2
> > ntypat  2
> > rprim   0 .5 .5  .5 0 .5  .5 .5 0
> > xred 3*0.00d0 3*0.5d0
> > tnons 144*0.0
> > typat  1 2
> > znucl  56 8
> >


--
Pierre-Matthieu Anglade