/*
* Project: MoleCuilder
* Description: creates and alters molecular systems
* Copyright (C) 2012 University of Bonn. All rights reserved.
*
*
* This file is part of MoleCuilder.
*
* MoleCuilder 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, either version 2 of the License, or
* (at your option) any later version.
*
* MoleCuilder 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 MoleCuilder. If not, see .
*/
/*
* VMGDebugGridJob.cpp
*
* Created on: Jul 13, 2012
* Author: heber
*/
// include config.h
#ifdef HAVE_CONFIG_H
#include
#endif
#ifdef HAVE_MPI
#include "mpi.h"
#endif
// include headers that implement a archive in simple text format
// otherwise BOOST_CLASS_EXPORT_IMPLEMENT has no effect
#include
#include
#include "mg.hpp"
#include "base/object.hpp"
#include "base/defs.hpp"
#ifdef HAVE_MPI
#include "comm/comm_mpi.hpp"
#include "comm/domain_decomposition_mpi.hpp"
#else
#include "comm/comm_serial.hpp"
#endif
#include "cycles/cycle_cs_periodic.hpp"
#include "grid/multigrid.hpp"
//#include "grid/tempgrid.hpp"
#include "level/level_operator_cs.hpp"
#include "level/stencils.hpp"
#include "samples/discretization_poisson_fd.hpp"
#include "smoother/gsrb_poisson_4.hpp"
#include "solver/givens.hpp"
//#include "solver/solver_regular.hpp"
#include "solver/solver_singular.hpp"
//#include "units/particle/comm_mpi_particle.hpp"
#include "CodePatterns/MemDebug.hpp"
#include "Jobs/VMGDebugGridJob.hpp"
#include "LinearAlgebra/defs.hpp"
#include "Jobs/InterfaceVMGDebugGridJob.hpp"
using namespace VMG;
VMGDebugGridJob::VMGDebugGridJob(
const JobId_t _JobId,
const SamplingGrid &_density_grid) :
FragmentJob(_JobId),
density_grid(_density_grid)
{}
VMGDebugGridJob::VMGDebugGridJob() :
FragmentJob(JobId::IllegalJob)
{}
VMGDebugGridJob::~VMGDebugGridJob()
{}
FragmentResult::ptr VMGDebugGridJob::Work()
{
// initialize VMG library solver
InitVMG();
/*
* Start the multigrid solver,
* hence calling InterfaceVMGDebugGridJob::ImportRightHandSide()
*/
MG::Solve();
/*
* Delete all data.
*/
MG::Destroy();
std::stringstream returnstream;
boost::archive::text_oarchive oa(returnstream);
std::string message("Sampled Grid");
oa << message;
FragmentResult::ptr ptr( new FragmentResult(getId(), returnstream.str()) );
return ptr;
}
/** Initialization of VMG library.
*
* The contents is heavily inspired from interface_fcs.cpp: VMG_fcs_init() of
* the ScaFaCoS project.
*
*/
void VMGDebugGridJob::InitVMG()
{
// TODO: As a matter of fact should use open boundary conditions
const Boundary boundary(Periodic, Periodic, Periodic);
/*
* Choose multigrid components
*/
#ifdef HAVE_MPI
new CommMPI(boundary, new DomainDecompositionMPI());
#else
new CommSerial(boundary);
#endif
new DiscretizationPoissonFD(4);
new VMGInterfaces::InterfaceVMGDebugGridJob(
density_grid.sampled_grid,
boundary,
2,
density_grid.level,
Vector(density_grid.begin),
density_grid.size,
5);
new LevelOperatorCS(Stencils::RestrictionFullWeight, Stencils::InterpolationTrilinear);
new Givens();
const int cycle_type = 1; // V-type
new CycleCSPeriodic(cycle_type);
new GaussSeidelRBPoisson4();
/*
* Register required parameters.
* We don't actually want solve anything here
*/
new ObjectStorage("PRESMOOTHSTEPS", 1);
new ObjectStorage("POSTSMOOTHSTEPS", 1);
new ObjectStorage("PRECISION", 1.0e-0);
new ObjectStorage("MAX_ITERATION", 1);
new ObjectStorage("PARTICLE_NEAR_FIELD_CELLS", 3);
new ObjectStorage("PARTICLE_INTERPOLATION_DEGREE", 3);
/*
* Post init
*/
MG::PostInit();
/*
* Check whether the library is correctly initialized now.
*/
MG::IsInitialized();
}
// we need to explicitly instantiate the serialization functions as
// its is only serialized through its base class FragmentJob
BOOST_CLASS_EXPORT_IMPLEMENT(VMGDebugGridJob)