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Commit 2a214b73 authored by kutscher's avatar kutscher
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add coprocessor and wrapper for LIGGGHTS

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2 merge requests!171Newest Update,!83Fix MPICommunicator
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apps/cpu/LiggghtsApp/LiggghtsApp.cpp
+ 84
− 78
View file @ 2a214b73
...@@ -4,90 +4,96 @@ ...@@ -4,90 +4,96 @@
#include "VirtualFluids.h" #include "VirtualFluids.h"
#include "lammps.h" //#include "lammps.h"
#include "input.h" //#include "input.h"
#include "atom.h" //#include "atom.h"
#include "modify.h" //#include "modify.h"
#include "fix_lb_coupling_onetoone.h" //#include "fix_lb_coupling_onetoone.h"
#include "LiggghtsCouplingCoProcessor.h"
#include "LiggghtsCouplingWrapper.h"
#include "LiggghtsCoProcessor.h"
using namespace std; using namespace std;
int main(int argc, char *argv[]) int main(int argc, char *argv[])
{ {
LAMMPS_NS::LAMMPS *lmp; SPtr<Communicator> comm = MPICommunicator::getInstance();
// custom argument vector for LAMMPS library LiggghtsCouplingWrapper wrapper(argv, (MPI_Comm)comm->getNativeCommunicator());
const char *lmpargv[] {"liblammps", "-log", "none"};
int lmpargc = sizeof(lmpargv)/sizeof(const char *); //LAMMPS_NS::LAMMPS *lmp;
// // custom argument vector for LAMMPS library
// explicitly initialize MPI // const char *lmpargv[] {"liblammps", "-log", "none"};
MPI_Init(&argc, &argv); // int lmpargc = sizeof(lmpargv)/sizeof(const char *);
// create LAMMPS instance // // explicitly initialize MPI
lmp = new LAMMPS_NS::LAMMPS(lmpargc, (char **)lmpargv, MPI_COMM_WORLD); // MPI_Init(&argc, &argv);
lmp->input->file("in.lbdem");
//lmp->input->one("run 1"); // // create LAMMPS instance
// lmp = new LAMMPS_NS::LAMMPS(lmpargc, (char **)lmpargv, MPI_COMM_WORLD);
//# Try extracting a global value // lmp->input->file("in.lbdem");
// print("") // //lmp->input->one("run 1");
// print("Attempting to get the number of atoms in simulation") //
// numAtoms = lmp.extract_global("natoms", 0) // //# Try extracting a global value
// print("natoms =", numAtoms) // // print("")
// // print("Attempting to get the number of atoms in simulation")
// # Try extracting atom's positions // // numAtoms = lmp.extract_global("natoms", 0)
// print("") // // print("natoms =", numAtoms)
// print("Attempting to get the atom's positions")
// pos = lmp.extract_atom("x",3) // // # Try extracting atom's positions
// for k in range(0,numAtoms): // // print("")
// print("Pos[%i] = [%f, %f, %f]" % (k, pos[k][0], pos[k][1], pos[k][2])) // // print("Attempting to get the atom's positions")
// // pos = lmp.extract_atom("x",3)
LAMMPS_NS::FixLbCouplingOnetoone // // for k in range(0,numAtoms):
*couplingFix // // print("Pos[%i] = [%f, %f, %f]" % (k, pos[k][0], pos[k][1], pos[k][2]))
= dynamic_cast<LAMMPS_NS::FixLbCouplingOnetoone*>
(lmp->modify->find_fix_style("couple/lb/onetoone",0)); // LAMMPS_NS::FixLbCouplingOnetoone
// *couplingFix
cout << "test1\n"; // = dynamic_cast<LAMMPS_NS::FixLbCouplingOnetoone*>
// (lmp->modify->find_fix_style("couple/lb/onetoone",0));
//double **t_liggghts = couplingFix->get_torque_ptr();
cout << "test2\n"; // cout << "test1\n";
//
lmp->input->one("run 9 upto"); // //double **t_liggghts = couplingFix->get_torque_ptr();
// cout << "test2\n";
for (int step = 0; step < 10; step++)
{ // lmp->input->one("run 9 upto");
// for (int step = 0; step < 10; step++)
int numAtoms = lmp->atom->natoms; // {
//
//double** pos = (double**)lmp->atom->extract("x");
double** pos = lmp->atom->x; // int numAtoms = lmp->atom->natoms;
//double* forceX = lmp->atom->fx; // //double** pos = (double**)lmp->atom->extract("x");
// double** pos = lmp->atom->x;
for (int i = 0; i < numAtoms; i++) //
{ // //double* forceX = lmp->atom->fx;
double **f_liggghts = couplingFix->get_force_ptr();
double** force = lmp->atom->f; // for (int i = 0; i < numAtoms; i++)
cout << "Pos[" << i << "] = [" << pos[i][0] << ", " << pos[i][1] << ", " << pos[i][2] << "]\n"; // {
cout << "Force1[" << i << "] = [" << f_liggghts[i][0] << ", " << f_liggghts[i][1] << ", " << f_liggghts[i][2] << "]\n"; // double **f_liggghts = couplingFix->get_force_ptr();
f_liggghts[i][0] += 0; // double** force = lmp->atom->f;
f_liggghts[i][1] += 0; // cout << "Pos[" << i << "] = [" << pos[i][0] << ", " << pos[i][1] << ", " << pos[i][2] << "]\n";
f_liggghts[i][2] += 500; // cout << "Force1[" << i << "] = [" << f_liggghts[i][0] << ", " << f_liggghts[i][1] << ", " << f_liggghts[i][2] << "]\n";
cout << "Force2[" << i << "] = [" << force[i][0] << ", " << force[i][1] << ", " << force[i][2] << "]\n"; // f_liggghts[i][0] += 0;
} // f_liggghts[i][1] += 0;
// f_liggghts[i][2] += 500;
couplingFix->comm_force_torque(); // cout << "Force2[" << i << "] = [" << force[i][0] << ", " << force[i][1] << ", " << force[i][2] << "]\n";
// }
lmp->input->one("run 10000");
// couplingFix->comm_force_torque();
}
// lmp->input->one("run 10000");
// delete LAMMPS instance //
delete lmp; // }
// stop MPI environment // // delete LAMMPS instance
MPI_Finalize(); // delete lmp;
// // stop MPI environment
// MPI_Finalize();
return 0; return 0;
} }
src/cpu/LiggghtsCoupling/LiggghtsCoProcessor.cpp deleted 100644 → 0
+ 0
− 523
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src/cpu/LiggghtsCoupling/LiggghtsCouplingCoProcessor.cpp 0 → 100644
+ 13
− 0
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#include "LiggghtsCouplingCoProcessor.h"
LiggghtsCouplingCoProcessor::LiggghtsCouplingCoProcessor()
{
}
LiggghtsCouplingCoProcessor::~LiggghtsCouplingCoProcessor()
{
}
void LiggghtsCouplingCoProcessor::process(double actualTimeStep)
{
}
\ No newline at end of file
src/cpu/LiggghtsCoupling/LiggghtsCoProcessor.h → src/cpu/LiggghtsCoupling/LiggghtsCouplingCoProcessor.h
+ 56
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...@@ -26,13 +26,13 @@ ...@@ -26,13 +26,13 @@
// You should have received a copy of the GNU General Public License along // You should have received a copy of the GNU General Public License along
// with VirtualFluids (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>. // with VirtualFluids (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
// //
//! \file LiggghtsCoProcessor.h //! \file LiggghtsCouplingCoProcessor.h
//! \ingroup LiggghtsCoupling //! \ingroup LiggghtsCoupling
//! \author Konstantin Kutscher //! \author Konstantin Kutscher
//======================================================================================= //=======================================================================================
#ifndef LIGGGHTS_CO_PROCESSOR_H #ifndef LiggghtsCouplingCoProcessor_h
#define LIGGGHTS_CO_PROCESSOR_H #define LiggghtsCouplingCoProcessor_h
#include "CoProcessor.h" #include "CoProcessor.h"
...@@ -42,108 +42,15 @@ ...@@ -42,108 +42,15 @@
#include "modify.h" #include "modify.h"
#include "fix_lb_coupling_onetoone.h" #include "fix_lb_coupling_onetoone.h"
class LiggghtsCoProcessor : public CoProcessor class LiggghtsCouplingCoProcessor : public CoProcessor
{ {
public: public:
LiggghtsCoProcessor(); LiggghtsCouplingCoProcessor();
virtual ~LiggghtsCoProcessor(); virtual ~LiggghtsCouplingCoProcessor();
void process(double actualTimeStep) override;
}; };
#endif #endif
///*
// * Author: S. Peters
// * mail: peters@irmb.tu-bs.de
// */
//#ifndef DEM_CO_PROCESSOR_H
//#define DEM_CO_PROCESSOR_H
//
//#include <map>
//#include <memory>
//#include <vector>
//
//#include "Vector3D.h"
//
//#include "CoProcessor.h"
//#include "UbTuple.h"
//
//#include <pe/basic.h>
//
////#define TIMING
//
//#ifdef TIMING
//#include "UbTiming.h"
//#endif
//
//class PhysicsEngineGeometryAdapter;
//class PhysicsEngineSolverAdapter;
//class PePhysicsEngineSolverAdapter;
//class PhysicsEngineMaterialAdapter;
//class PePhysicsEngineGeometryAdapter;
//
//class UbScheduler;
//class Grid3D;
//class ForceCalculator;
//class Communicator;
//class MovableObjectInteractor;
//class Communicator;
//class BoundaryConditionsBlockVisitor;
//
//class DemCoProcessor : public CoProcessor
//{
//public:
// DemCoProcessor(std::shared_ptr<Grid3D> grid, std::shared_ptr<UbScheduler> s, std::shared_ptr<Communicator> comm,
// std::shared_ptr<ForceCalculator> forceCalculator,
// std::shared_ptr<PhysicsEngineSolverAdapter> physicsEngineSolver, double intermediatePeSteps = 1.0);
// virtual ~DemCoProcessor();
//
// void addInteractor(std::shared_ptr<MovableObjectInteractor> interactor,
// std::shared_ptr<PhysicsEngineMaterialAdapter> physicsEngineMaterial,
// Vector3D initalVelocity = Vector3D(0.0, 0.0, 0.0));
// void process(double step) override;
// std::shared_ptr<PhysicsEngineSolverAdapter> getPhysicsEngineSolver();
// void distributeIDs();
// void setBlockVisitor(std::shared_ptr<BoundaryConditionsBlockVisitor> blockVisitor);
// bool isDemObjectInAABB(std::array<double, 6> AABB);
// int addSurfaceTriangleSet(std::vector<UbTupleFloat3> &nodes, std::vector<UbTupleInt3> &triangles);
// void getObjectsPropertiesVector(std::vector<double> &p);
// void addPeGeo(walberla::pe::RigidBody *peGeo);
// void removePeGeo(walberla::pe::RigidBody *peGeo);
// void addPeShadowGeo(walberla::pe::RigidBody *peGeo);
// void removePeShadowGeo(walberla::pe::RigidBody *peGeo);
// bool isSpheresIntersection(double centerX1, double centerX2, double centerX3, double d);
//
//private:
// std::shared_ptr<PhysicsEngineGeometryAdapter>
// createPhysicsEngineGeometryAdapter(std::shared_ptr<MovableObjectInteractor> interactor,
// std::shared_ptr<PhysicsEngineMaterialAdapter> physicsEngineMaterial) const;
// void applyForcesOnGeometries();
// void setForcesToObject(SPtr<Grid3D> grid, std::shared_ptr<MovableObjectInteractor> interactor,
// std::shared_ptr<PhysicsEngineGeometryAdapter> physicsEngineGeometry);
// void scaleForcesAndTorques(double scalingFactor);
// void calculateDemTimeStep(double step);
// void moveVfGeoObjects();
// walberla::pe::RigidBody *getPeGeoObject(walberla::id_t id);
// std::shared_ptr<PePhysicsEngineGeometryAdapter> getPeGeoAdapter(unsigned long long systemId);
//
//private:
// std::shared_ptr<Communicator> comm;
// std::vector<std::shared_ptr<MovableObjectInteractor>> interactors;
// std::shared_ptr<ForceCalculator> forceCalculator;
// std::shared_ptr<PePhysicsEngineSolverAdapter> physicsEngineSolver;
// std::vector<std::shared_ptr<PhysicsEngineGeometryAdapter>> physicsEngineGeometrieAdapters;
// double intermediateDemSteps;
// SPtr<BoundaryConditionsBlockVisitor> boundaryConditionsBlockVisitor;
// // walberla::pe::BodyStorage* bodyStorage; //!< Reference to the central body storage.
// // walberla::pe::BodyStorage* bodyStorageShadowCopies; //!< Reference to the body storage containing body shadow
// // copies.
//
// std::map<unsigned long long, std::shared_ptr<PePhysicsEngineGeometryAdapter>> geoIdMap;
//
//#ifdef TIMING
// UbTimer timer;
//#endif
//};
//
//#endif
src/cpu/LiggghtsCoupling/LiggghtsCouplingWrapper.cpp 0 → 100644
+ 85
− 0
View file @ 2a214b73
/*
* This file is part of the LBDEMcoupling software.
*
* LBDEMcoupling is free software: you can redistribute it and/or modify
* it under the terms of the GNU General Public License as published by
* the Free Software Foundation, version 3.
*
* This program is distributed in the hope that it will be useful,
* but WITHOUT ANY WARRANTY; without even the implied warranty of
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
* GNU General Public License for more details.
*
* You should have received a copy of the GNU General Public License
* along with this program. If not, see <http://www.gnu.org/licenses/>.
*
* Copyright 2014 Johannes Kepler University Linz
*
* Author: Philippe Seil (philippe.seil@jku.at)
*/
#include "LiggghtsCouplingWrapper.h"
#include "mpi.h"
#include <iostream>
#include <sstream>
LiggghtsCouplingWrapper::LiggghtsCouplingWrapper(char **argv, MPI_Comm communicator)
: lmp(0)
{
// todo: get LAMMPS to recognize command line options
int argc_lmp = 1;
char **argv_lmp = 0;
argv_lmp = new char*[1];
argv_lmp[0] = argv[0];
lmp = new LAMMPS_NS::LAMMPS(argc_lmp,argv_lmp,communicator);
// delete[] argv_lmp[0];
delete[] argv_lmp;
}
void LiggghtsCouplingWrapper::execFile(char* const fname)
{
lmp->input->file(fname);
}
void LiggghtsCouplingWrapper::execCommand(std::stringstream const &cmd)
{
lmp->input->one(cmd.str().c_str());
}
void LiggghtsCouplingWrapper::execCommand(char* const cmd)
{
lmp->input->one(cmd);
}
int LiggghtsCouplingWrapper::getNumParticles()
{
return lammps_get_natoms(lmp);
}
void LiggghtsCouplingWrapper::setVariable(char const *name, double value)
{
std::stringstream cmd;
cmd << "variable " << name << " equal " << value;
std::cout << cmd.str() << std::endl;
execCommand(cmd);
}
void LiggghtsCouplingWrapper::setVariable(char const *name, std::string &value)
{
std::stringstream cmd;
cmd << "variable " << name << " string " << value;
std::cout << cmd.str() << std::endl;
execCommand(cmd);
}
void LiggghtsCouplingWrapper::run(int nSteps)
{
std::stringstream cmd;
cmd << "run " << nSteps;
execCommand(cmd);
}
void LiggghtsCouplingWrapper::runUpto(int nSteps)
{
std::stringstream cmd;
cmd << "run " << nSteps << " upto";
execCommand(cmd);
}
src/cpu/LiggghtsCoupling/LiggghtsCouplingWrapper.h 0 → 100644
+ 47
− 0
View file @ 2a214b73
/*
* This file is part of the LBDEMcoupling software.
*
* LBDEMcoupling is free software: you can redistribute it and/or modify
* it under the terms of the GNU General Public License as published by
* the Free Software Foundation, version 3.
*
* This program is distributed in the hope that it will be useful,
* but WITHOUT ANY WARRANTY; without even the implied warranty of
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
* GNU General Public License for more details.
*
* You should have received a copy of the GNU General Public License
* along with this program. If not, see <http://www.gnu.org/licenses/>.
*
* Copyright 2014 Johannes Kepler University Linz
*
* Author: Philippe Seil (philippe.seil@jku.at)
*/
#ifndef LIGGGHTSCOUPLINGWRAPPER_H
#define LIGGGHTSCOUPLINGWRAPPER_H
// necessary LAMMPS/LIGGGHTS includes
#include "lammps.h"
#include "input.h"
#include "library.h"
#include "library_cfd_coupling.h"
class LiggghtsCouplingWrapper {
public:
LiggghtsCouplingWrapper(char **argv, MPI_Comm communicator);
void execFile(char* const fname);
void execCommand(std::stringstream const &cmd);
void execCommand(char* const cmd);
void run(int nSteps);
void runUpto(int nSteps);
int getNumParticles();
void setVariable(char const *name, double value);
void setVariable(char const *name, std::string &value);
//private:
LAMMPS_NS::LAMMPS *lmp;
};
#endif /* LIGGGHTSCOUPLINGWRAPPER_H */
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