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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