ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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#include "tuning.hpp"
#include "cell_system/CellStructure.hpp"
#include "communication.hpp"
#include "errorhandling.hpp"
#include "integrate.hpp"
#include "nonbonded_interactions/nonbonded_interaction_data.hpp"
#include "system/System.hpp"
#include <utils/statistics/RunningAverage.hpp>
#include <boost/mpi/collectives/all_reduce.hpp>
#include <boost/mpi/collectives/broadcast.hpp>
#include <mpi.h>
#include <algorithm>
#include <functional>
#include <string>
Go to the source code of this file.
Namespaces | |
namespace | System |
Functions | |
static void | check_statistics (Utils::Statistics::RunningAverage< double > &acc) |
static void | run_full_force_calc (System::System &system, int reuse_forces) |
double | benchmark_integration_step (System::System &system, int int_steps) |
Benchmark the integration loop. | |
static double | time_calc (System::System &system, int int_steps) |
Time the integration. | |
double benchmark_integration_step | ( | System::System & | system, |
int | int_steps | ||
) |
Benchmark the integration loop.
Call System::System::integrate() several times and measure the elapsed time without propagating the system. It therefore doesn't include e.g. Verlet list updates.
system | The system to tune. |
int_steps | Number of integration steps. |
Definition at line 73 of file tuning.cpp.
References Utils::Statistics::RunningAverage< Scalar >::add_sample(), Utils::Statistics::RunningAverage< Scalar >::avg(), check_statistics(), comm_cart, INTEG_REUSE_FORCES_CONDITIONALLY, INTEG_REUSE_FORCES_NEVER, run_full_force_calc(), and this_node.
Referenced by TuningAlgorithm::get_mc_time(), and CoulombMMM1D::tune().
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Definition at line 56 of file tuning.cpp.
References Utils::Statistics::RunningAverage< Scalar >::avg(), runtimeWarningMsg, and Utils::Statistics::RunningAverage< Scalar >::sig().
Referenced by benchmark_integration_step().
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Definition at line 66 of file tuning.cpp.
References INTEG_ERROR_RUNTIME, and System::System::integrate().
Referenced by benchmark_integration_step().
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Time the integration.
This times the integration and propagates the system.
system | The system to tune. |
int_steps | Number of steps to integrate. |
Definition at line 106 of file tuning.cpp.
References INTEG_ERROR_RUNTIME, INTEG_REUSE_FORCES_CONDITIONALLY, INTEG_REUSE_FORCES_NEVER, and System::System::integrate().
Referenced by System::System::tune_verlet_skin().