diff --git a/cscs-checks/apps/gromacs/gromacs_check.py b/cscs-checks/apps/gromacs/gromacs_check.py index a2b79d368f..c57900546f 100644 --- a/cscs-checks/apps/gromacs/gromacs_check.py +++ b/cscs-checks/apps/gromacs/gromacs_check.py @@ -23,11 +23,10 @@ def __init__(self, output_file): r'\s+Pressure \(bar\)\s+Constr\. rmsd', output_file, 'energy', float, item=-1) energy_reference = -3270799.9 - energy_diff = sn.abs(energy - energy_reference) self.sanity_patterns = sn.all([ sn.assert_found('Finished mdrun', output_file), - sn.assert_lt(energy_diff, 1560.1) + sn.assert_reference(energy, energy_reference, -0.001, 0.001) ]) self.perf_patterns = {