parallel distribution of data

Matt W MattWa... at gmail.com
Fri Mar 21 15:17:10 UTC 2008


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!



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