[CP2K:864] Re: parallel distribution of data

[Nichols A. Romero]

I think you are right. I have double the number of processors to 1024. It
will probably be a while before that gets through the queue.

On 3/21/08, Matt W <MattWa... at gmail.com> wrote:
>
>
> Well, actually you've got through the 2D distribution routines, so
> you've now got a different problem;)  I guess this could just be
> running out of memory (it's an allocation that's failed).  Someone
> else will have to comment more fully.
>
> Matt
>
> > Just to follow up. Tried your suggestion of SKIP_OPTIMIZATION TRUE but
> that
> > did not work.
> >
> >   preconditioner : FULL_KINETIC        : cholesky inversion of T + eS
> >   stepsize       :    0.15000000
> >   energy_gap     :    0.20000000
> >   eps_taylor     :   0.10000E-15
> >   max_taylor     :             4
> >
> >   ----------------------------------- OT
> > --------------------------------------
> >  *
> >  *** 03:21:02 ERRORL2 in cp_fm_types:cp_fm_create processor      0   ***
> >  *** err=-300  condition FAILED at line 169                          ***
> >  *
> >
> >  ===== Routine Calling Stack =====
> >
> >             7 make_preconditioner_single
> >             6 init_scf_loop
> >             5 scf_env_do_scf
> >             4 qs_energies
> >             3 qs_forces
> >             2 qs_mol_dyn_low
> >             1 CP2K
> >  CP2K| condition FAILED at line 169
> >  CP2K| Abnormal program termination, stopped by process number 0
> > [0] [MPI Abort by user] Aborting Program!
>
> >
>


-- 
Nichols A. Romero, Ph.D.
DoD User Productivity Enhancement and Technology Transfer (PET) Group
High Performance Technologies, Inc.
Reston, VA
443-567-8328 (C)
410-278-2692 (O)
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