ERRORL2 in task_list_methods:optimize_load_list
fxco... at gmail.com
fxco... at gmail.com
Wed Dec 18 11:15:50 UTC 2013
I have a series of QuickStep MD simulations, all for the same system, were
some of the runs fail somewhere in the middle with the following error:
*****************************************************************************
*** 14:11:19 ERRORL2 in task_list_methods:optimize_load_list processor 0
***
*** :: err=-300 condition FAILED at line 968
***
*****************************************************************************
===== Routine Calling Stack =====
12 optimize_load_list
11 load_balance_distributed
10 distribute_tasks
9 generate_qs_task_list
8 qs_create_task_list
7 qs_env_update_s_mstruct
6 qs_energies_init_hamiltonians
5 qs_energies_scf
4 qs_forces
3 velocity_verlet
2 qs_mol_dyn_low
1 CP2K
It doesn't say much about what can be done, nor what triggers the error.
There's a comment in the source code which indicates it could be an
out-of-memory error, but it has a small number of atoms and running on 512
processors, in conditions where I've never seen this error before.
How can I diagnose this? What can I try to avoid it, or understand better
what triggers it?
Thanks,
FX
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