[CP2K:824] Re: parallel distribution of data

[Nichols A. Romero]

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!



On 3/13/08, Matt W <MattWa... at gmail.com> wrote:
>
>
> As to your problem with the 2D distribution, I don't know the code,
> but the manual perhaps gives you a hint.
>
> located at __ROOT__%FORCE_EVAL%DFT%QS%DISTRIBUTION
>
> SKIP_OPTIMIZATION TRUE
>        Do not optimize the distribution, go for something very simple.
> Might
> be useful if the optimization, which scales quadratically in system
> size, is too expensive.
>        This optional keyword expects a logical
>        This keyword behaves as a switch T . Default value: F
>
> I have no idea how much it might impact on load balancing...
>
> Matt
>
>
> >
>


-- 
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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