diff --git a/examples/workchains/example_base_md_restart.py b/examples/workchains/example_base_md_restart.py index ac82722..309fa4f 100644 --- a/examples/workchains/example_base_md_restart.py +++ b/examples/workchains/example_base_md_restart.py @@ -47,7 +47,7 @@ def example_base(cp2k_code): { "GLOBAL": { "RUN_TYPE": "MD", - "WALLTIME": "00:00:50", # too short + "WALLTIME": "00:00:30", # too short }, "FORCE_EVAL": { "METHOD": "Quickstep", @@ -96,7 +96,8 @@ def example_base(cp2k_code): "MD": { "THERMOSTAT": {"CSVR": {}, "TYPE": "csvr"}, "BAROSTAT": {}, - "STEPS": 10, + "MAX_STEPS": 8, + "STEPS": 10000, "ENSEMBLE": "npt_f", "TEMPERATURE": 300.0, },