49 const double interactionLength,
50 const std::array<double, 3> &boxMin,
51 const std::array<double, 3> &boxMax,
double cutoff) {
52 std::array<size_t, 3> cellsPerDim{};
53 std::array<double, 3> cellLength{};
55 for (
int d = 0; d < 3; ++d) {
58 cellsPerDim[d] = std::max(
static_cast<size_t>(std::floor(domainSize[d] / interactionLength)), 1ul);
59 cellLength[d] = domainSize[d] /
static_cast<double>(cellsPerDim[d]);
62 return {cellsPerDim, cellLength, boxMin, boxMax, cutoff};
79 const size_t numParticles,
80 const std::array<double, 3> &boxMin,
81 const std::array<double, 3> &boxMax,
83 using namespace autopas::utils::ArrayMath::literals;
85 const auto targetNumberOfBins = std::max(std::ceil(
static_cast<double>(numParticles) / 10.), 1.);
86 const auto targetNumberOfBinsPerDim = std::cbrt(targetNumberOfBins);
88 const auto numberOfBinsPerDim =
static_cast<size_t>(std::floor(targetNumberOfBinsPerDim));
89 const auto binDimensions = domainSize /
static_cast<double>(numberOfBinsPerDim);
91 return {numberOfBinsPerDim, binDimensions, boxMin, boxMax, cutoff};
104 const std::array<double, 3> &boxMin,
105 const std::array<double, 3> &boxMax,
double cutoff) {
106 using namespace autopas::utils::ArrayMath::literals;
108 const auto binLength = domainSize / 3.;
110 return {3, binLength, boxMin, boxMax, cutoff};
118 DataLayoutOption, Newton3Option>;
187 template <
class Particle_T>
189 size_t numOwnedParticles, std::array<double, 3> boxMin, std::array<double, 3> boxMax,
double cutoff,
191 using namespace utils::ArrayMath::literals;
195 const auto interactionLength = cutoff + skin;
197 infos[
"cutoff"] = cutoff;
198 infos[
"skin"] = skin;
199 infos[
"rebuildFrequency"] = rebuildFrequency;
200 infos[
"particleSize"] =
sizeof(Particle_T);
203 infos[
"numOwnedParticles"] = numOwnedParticles;
205 const auto domainSize = boxMax - boxMin;
206 infos[
"domainSizeX"] = domainSize[0];
207 infos[
"domainSizeY"] = domainSize[1];
208 infos[
"domainSizeZ"] = domainSize[2];
211 auto cellBinStruct = buildCellBinStructure(domainSize, interactionLength, boxMin, boxMax, cutoff);
212 auto particleDependentBinStruct =
213 buildParticleDependentBinStructure(domainSize, numOwnedParticles, boxMin, boxMax, cutoff);
214 auto blurredBinStruct = buildBlurredBinStructure(domainSize, boxMin, boxMax, cutoff);
216 infos[
"numCells"] = cellBinStruct.getNumberOfBins();
219 size_t numOwnedParticlesCount = 0;
220 size_t numHaloParticlesCount = 0;
221 for (; particleIter.
isValid(); ++particleIter) {
222 if (particleIter->isOwned()) {
223 numOwnedParticlesCount++;
224 const auto particlePos = particleIter->getR();
226 cellBinStruct.countParticle(particlePos);
227 particleDependentBinStruct.countParticle(particlePos);
228 blurredBinStruct.countParticle(particlePos);
230 }
else if (particleIter->isHalo()) {
231 numHaloParticlesCount++;
236 if (numOwnedParticlesCount != numOwnedParticles) {
238 "Number of owned particles tracked by AutoPas ({}) does not match number of owned particles "
239 "counted using the iterator ({}).",
240 numOwnedParticles, numOwnedParticlesCount);
243 infos[
"numOwnedParticles"] = numOwnedParticlesCount;
244 infos[
"numHaloParticles"] = numHaloParticlesCount;
247 cellBinStruct.calculateStatistics();
248 particleDependentBinStruct.calculateStatistics();
249 blurredBinStruct.calculateStatistics();
252 infos[
"numEmptyCells"] = cellBinStruct.getNumEmptyBins();
253 infos[
"maxParticlesPerCell"] = cellBinStruct.getMaxParticlesPerBin();
254 infos[
"minParticlesPerCell"] = cellBinStruct.getMinParticlesPerBin();
255 infos[
"medianParticlesPerCell"] = cellBinStruct.getMedianParticlesPerBin();
256 infos[
"lowerQuartileParticlesPerCell"] = cellBinStruct.getLowerQuartileParticlesPerBin();
257 infos[
"upperQuartileParticlesPerCell"] = cellBinStruct.getUpperQuartileParticlesPerBin();
258 infos[
"meanParticlesPerCell"] = cellBinStruct.getMeanParticlesPerBin();
259 infos[
"relativeParticlesPerCellStdDev"] = cellBinStruct.getRelStdDevParticlesPerBin();
260 infos[
"particlesPerCellStdDev"] = cellBinStruct.getStdDevParticlesPerBin();
261 infos[
"estimatedNumNeighborInteractions"] = cellBinStruct.getEstimatedNumberOfNeighborInteractions();
264 infos[
"particleDependentBinMaxDensity"] = particleDependentBinStruct.getMaxDensity();
265 infos[
"particleDependentBinDensityStdDev"] = particleDependentBinStruct.getStdDevDensity();
268 infos[
"maxParticlesPerBlurredBin"] = blurredBinStruct.getMaxParticlesPerBin();
269 infos[
"minParticlesPerBlurredBin"] = blurredBinStruct.getMinParticlesPerBin();
270 infos[
"medianParticlesPerBlurredBin"] = blurredBinStruct.getMedianParticlesPerBin();
271 infos[
"lowerQuartileParticlesPerBlurredBin"] = blurredBinStruct.getLowerQuartileParticlesPerBin();
272 infos[
"upperQuartileParticlesPerBlurredBin"] = blurredBinStruct.getUpperQuartileParticlesPerBin();
273 infos[
"meanParticlesPerBlurredBin"] = blurredBinStruct.getMeanParticlesPerBin();
274 infos[
"relativeParticlesPerBlurredBinStdDev"] = blurredBinStruct.getRelStdDevParticlesPerBin();
275 infos[
"particlesPerBlurredBinStdDev"] = blurredBinStruct.getStdDevParticlesPerBin();
282 [[nodiscard]]
const auto &
get()
const {
return infos; }
290 template <
typename T>
291 T
get(
const std::string &key)
const {
293 const auto it = infos.find(key);
296 if (it == infos.end()) {
297 AutoPasLog(ERROR,
"Key '" + key +
"' not found in infos map.");
302 return std::get<T>(it->second);
303 }
catch (
const std::bad_variant_access &e) {
304 AutoPasLog(ERROR,
"Type mismatch for key '" + key +
"'. Requested type does not match the stored type.");
313 auto typeToString = [](
auto type) {
314 if constexpr (std::is_same_v<
decltype(type),
bool> or std::is_same_v<
decltype(type),
double> or
315 std::is_same_v<
decltype(type),
size_t>) {
316 return std::to_string(type);
317 }
else if constexpr (std::is_base_of_v<Option<
decltype(type)>,
decltype(type)>) {
318 return type.to_string();
320 return std::string{
"fail"};
322 auto pairToString = [&](
const auto &pair) {
return pair.first +
"=" + std::visit(typeToString, pair.second); };
323 std::string res{
"Live Info: "};
324 if (not infos.empty()) {
326 res += std::accumulate(std::next(infos.begin()), infos.end(), pairToString(*infos.begin()),
327 [&](std::string s,
const auto &elem) { return std::move(s) +
" " + pairToString(elem); });
339 out << info.infos.size() <<
' ';
340 for (
const auto &[name, val] : info.infos) {
343 out << name <<
' ' << val.index() <<
' ';
344 std::visit([&](
const auto &v) { out << v <<
' '; }, val);
356 size_t numElements{0};
358 for (
size_t i = 0; i < numElements; i++) {
364 readIndex<LiveInfo::InfoType>(in, idx, std::make_index_sequence<std::variant_size_v<LiveInfo::InfoType>>());
365 info.infos[name] = val;
375 [[nodiscard]] std::pair<std::string, std::string>
getCSVLine()
const {
378 const auto keyRegex = std::regex(
"([^= ]+)=[^ ]*");
380 const auto valueRegex = std::regex(
"=([^ ]+)");
384 searchString = searchString.substr(std::string(
"Live Info: ").size());
386 std::sregex_iterator keyIter(searchString.begin(), searchString.end(), keyRegex);
387 std::sregex_iterator valueIter(searchString.begin(), searchString.end(), valueRegex);
388 std::sregex_iterator end;
390 std::stringstream header;
391 std::stringstream line;
393 while (keyIter != end) {
395 header << keyIter->str(1) <<
",";
398 while (valueIter != end) {
400 line << valueIter->str(1) <<
",";
404 auto headerStr = header.str();
405 auto lineStr = line.str();
407 headerStr.pop_back();
410 return std::make_pair(headerStr, lineStr);
424 template <
class Variant,
class Type,
size_t Idx>
425 static void readIndexHelper(std::istream &in,
size_t idx, Variant &var) {
441 template <
class Variant,
size_t... Idx>
442 static Variant readIndex(std::istream &in,
size_t idx, std::index_sequence<Idx...>) {
444 (readIndexHelper<Variant, std::variant_alternative_t<Idx, Variant>, Idx>(in, idx, var), ...);
451 std::map<std::string, InfoType> infos;
#define AutoPasLog(lvl, fmt,...)
Macro for logging providing common meta information without filename.
Definition: Logger.h:24
Public iterator class that iterates over a particle container and additional vectors (which are typic...
Definition: ContainerIterator.h:93
bool isValid() const
Check whether the iterator currently points to a valid particle.
Definition: ContainerIterator.h:295
This class is able to gather and store important information for a tuning phase from a container and ...
Definition: LiveInfo.h:32
std::string toString() const
Creates a string containing all live info gathered.
Definition: LiveInfo.h:312
T get(const std::string &key) const
Gets a single value from the infos that corresponds to the given string.
Definition: LiveInfo.h:291
std::pair< std::string, std::string > getCSVLine() const
Generate a csv representation containing all values from the toString() method.
Definition: LiveInfo.h:375
friend std::istream & operator>>(std::istream &in, LiveInfo &info)
Stream operator to read the LiveInfo in from a stream.
Definition: LiveInfo.h:355
friend std::ostream & operator<<(std::ostream &out, const LiveInfo &info)
Stream operator to write the LiveInfo to a stream.
Definition: LiveInfo.h:338
std::variant< bool, double, size_t, ContainerOption, TraversalOption, LoadEstimatorOption, DataLayoutOption, Newton3Option > InfoType
The type of an info.
Definition: LiveInfo.h:118
void gather(ContainerIterator< Particle_T, true, false > particleIter, size_t rebuildFrequency, size_t numOwnedParticles, std::array< double, 3 > boxMin, std::array< double, 3 > boxMax, double cutoff, double skin)
Gathers key statistics that define the computational profile of the simulation, in order to provide l...
Definition: LiveInfo.h:188
const auto & get() const
Returns a map of all infos.
Definition: LiveInfo.h:282
Class representing the load estimator choices.
Definition: LoadEstimatorOption.h:18
Particle-counting bin structure.
Definition: ParticleBinStructure.h:34
constexpr std::array< target_T, SIZE > ceilAndCast(const std::array< float_T, SIZE > &a)
Ceils all array elements and converts them to a different type.
Definition: ArrayMath.h:352
bool inBox(const std::array< T, 3 > &position, const std::array< T, 3 > &low, const std::array< T, 3 > &high)
Checks if position is inside of a box defined by low and high.
Definition: inBox.h:26
This is the main namespace of AutoPas.
Definition: AutoPasDecl.h:32
int autopas_get_max_threads()
Dummy for omp_get_max_threads() when no OpenMP is available.
Definition: WrapOpenMP.h:144
Type
Enum describing all types that are allowed in a rule program.
Definition: RuleBasedProgramTree.h:10