fprintf(stdout,
"Test system '%s' cannot run with %d ranks.\n"
"The supported numbers are: %s\n",
- simulationName.c_str(), numRanksAvailable,
+ simulationName.c_str(),
+ numRanksAvailable,
reportNumbersOfPpRanksSupported(simulationName).c_str());
return;
}
SCOPED_TRACE(
formatString("Comparing normal and rerun of simulation '%s' "
"with integrator '%s'",
- simulationName.c_str(), integrator.c_str()));
+ simulationName.c_str(),
+ integrator.c_str()));
auto mdpFieldValues =
prepareMdpFieldValues(simulationName.c_str(), integrator.c_str(), "no", "no");
const int toleranceScaleFactor = (integrator == "bd") ? 2 : 1;
EnergyTermsToCompare energyTermsToCompare{ {
{ interaction_function[F_EPOT].longname,
- relativeToleranceAsPrecisionDependentUlp(10.0, 24 * toleranceScaleFactor,
- 40 * toleranceScaleFactor) },
+ relativeToleranceAsPrecisionDependentUlp(
+ 10.0, 24 * toleranceScaleFactor, 40 * toleranceScaleFactor) },
} };
// Specify how trajectory frame matching must work
TrajectoryComparison::s_defaultTrajectoryTolerances };
int numWarningsToTolerate = 0;
- executeRerunTest(&fileManager_, &runner_, simulationName, numWarningsToTolerate, mdpFieldValues,
- energyTermsToCompare, trajectoryComparison);
+ executeRerunTest(&fileManager_,
+ &runner_,
+ simulationName,
+ numWarningsToTolerate,
+ mdpFieldValues,
+ energyTermsToCompare,
+ trajectoryComparison);
}
// TODO The time for OpenCL kernel compilation means these tests time
SCOPED_TRACE(
formatString("Comparing normal and rerun of simulation '%s' "
"with integrator '%s' for initial lambda state %d",
- simulationName.c_str(), integrator.c_str(), initLambdaState));
+ simulationName.c_str(),
+ integrator.c_str(),
+ initLambdaState));
auto mdpFieldValues =
prepareMdpFieldValues(simulationName.c_str(), integrator.c_str(), "no", "no");
// The md integrator triggers a warning for nearly decoupled
// states, which we need to suppress. TODO sometimes?
int numWarningsToTolerate = (integrator == "md") ? 1 : 0;
- executeRerunTest(&fileManager_, &runner_, simulationName, numWarningsToTolerate, mdpFieldValues,
- energyTermsToCompare, trajectoryComparison);
+ executeRerunTest(&fileManager_,
+ &runner_,
+ simulationName,
+ numWarningsToTolerate,
+ mdpFieldValues,
+ energyTermsToCompare,
+ trajectoryComparison);
}
// TODO The time for OpenCL kernel compilation means these tests time