本文整理汇总了C++中Benchmark::finalize方法的典型用法代码示例。如果您正苦于以下问题：C++ Benchmark::finalize方法的具体用法？C++ Benchmark::finalize怎么用？C++ Benchmark::finalize使用的例子？那么, 这里精选的方法代码示例或许可以为您提供帮助。您也可以进一步了解该方法所在类Benchmark的用法示例。
在下文中一共展示了Benchmark::finalize方法的1个代码示例，这些例子默认根据受欢迎程度排序。您可以为喜欢或者感觉有用的代码点赞，您的评价将有助于系统推荐出更棒的C++代码示例。
示例1: main
int main(const int argc, const char* argv[])
{
InputArgs input_args;
if (!read_cli_arguments(input_args, argc, argv))
{
std::cerr << "usage: " << argv[0] << " CONF OUTPUT NSTEPS\n"
<< "\n"
<< "where\n"
<< " CONF is an input configuration in .gro format\n"
<< " OUTPUT is the final output configuration\n"
<< " NSTEPS is the number of steps to run\n";
return 1;
}
std::cout << "Input arguments: "
<< "conf = " << input_args.input_conf
<< ", output = " << input_args.output_conf
<< ", num_steps = " << input_args.num_steps
<< "\n\n";
const auto& ff = ArgonFF;
std::cerr << "Reading configuration ... ";
auto system = read_conf_from_grofile(input_args.input_conf, ff.sigma);
std::cerr << "done.\n";
std::cerr << "Setting up system ... ";
create_cell_lists(system, ff.rcut);
gen_system_velocities(system, 3.0);
std::cerr << "done.\n";
std::cerr << '\n';
describe_system_config(system, ff);
std::cerr << '\n';
Benchmark benchmark;
Energetics energy;
std::cerr << "Simulating " << input_args.num_steps << " steps:\n";
// [WIP] trajectory output
benchmark.start_traj_output_update();
std::string fntraj { "traj.gro" };
{
std::ofstream reset { fntraj, std::ios::out | std::ios::trunc };
}
benchmark.stop_traj_output_update();
for (unsigned step = 0; step < input_args.num_steps; ++step)
{
if ((step % 10) == 0)
{
std::cerr << "\rstep " << step;
}
run_velocity_verlet(system, benchmark, ff, DefaultOpts);
benchmark.start_energy_calc_update();
if (step != 0 && (step % DefaultOpts.energy_calc) == 0)
{
calculate_system_energetics(energy, system, ff);
}
benchmark.stop_energy_calc_update();
// [WIP] trajectory output
benchmark.start_traj_output_update();
if (step != 0 && (step % 20 == 0))
{
write_conf_to_grofile(system, fntraj, ff.sigma, OutputMode::Append);
}
benchmark.stop_traj_output_update();
}
benchmark.finalize();
std::cerr << "\r \r"
<< "Finished.\n\n";
std::cerr << "Writing final system to disk as '"
<< input_args.output_conf
<< "' ... ";
write_conf_to_grofile(system, input_args.output_conf, ff.sigma, OutputMode::Replace);
std::cerr << "done.\n";
std::cerr << '\n';
print_energetics(energy, ff);
std::cerr << '\n';
print_benchmark(benchmark);
auto t = std::time(nullptr);
std::cerr << "\nFinished simulation at "
<< std::put_time(std::localtime(&t), "%c") << ".\n";
return 0;
}