NAMD
Classes | Macros | Functions
InfoStream.h File Reference
#include <iostream>
#include <sstream>

Go to the source code of this file.

Classes

class  infostream
 

Macros

#define LOCALMOD(type)   infostream& operator<<(type x)
 
#define iFILE   __FILE__<<'('<<__LINE__<<"): "
 
#define iINFOF   iINFO << iFILE
 
#define iWARNF   iWARN << iFILE
 
#define iERRORF   iERROR << iFILE
 
#define iDEBUGF   iDEBUG << iFILE
 
#define iout   infostream::access_iout_obj()
 

Functions

std::ostream & operator<< (std::ostream &strm, const Vector &v1)
 
infostreamoperator<< (infostream &strm, const Vector &v1)
 
std::ostream & operator<< (std::ostream &strm, const Tensor &t1)
 
infostreamoperator<< (infostream &strm, const Tensor &t1)
 
infostreamendi (infostream &s)
 
std::ostream & iINFO (std::ostream &s)
 
std::ostream & iWARN (std::ostream &s)
 
std::ostream & iERROR (std::ostream &s)
 
std::ostream & iDEBUG (std::ostream &s)
 
std::ostream & iPE (std::ostream &s)
 

Macro Definition Documentation

#define iDEBUGF   iDEBUG << iFILE

Definition at line 85 of file InfoStream.h.

#define iERRORF   iERROR << iFILE

Definition at line 84 of file InfoStream.h.

#define iFILE   __FILE__<<'('<<__LINE__<<"): "

Definition at line 81 of file InfoStream.h.

#define iINFOF   iINFO << iFILE

Definition at line 82 of file InfoStream.h.

#define iout   infostream::access_iout_obj()

Definition at line 87 of file InfoStream.h.

Referenced by Controller::adaptTempInit(), Controller::adaptTempUpdate(), Controller::adaptTempWriteRestart(), after_backend_init(), Controller::algorithm(), ResidueLookupElem::append(), Rebalancer::assign(), Parameters::assign_angle_index(), Parameters::assign_dihedral_index(), Parameters::assign_vdw_index(), WorkDistrib::assignNodeToPatch(), average(), ParallelIOMgr::bcastHydroBasedCounter(), ParallelIOMgr::bcastMolInfo(), Controller::berendsenPressure(), Molecule::build_go_arrays(), Molecule::build_go_params(), Molecule::build_go_sigmas(), Molecule::build_go_sigmas2(), Molecule::build_gridforce_params(), buildExclusions(), WorkDistrib::buildNodeAwarePeOrdering(), ProxyMgr::buildProxySpanningTree(), ComputeQMMgr::calcMOPAC(), ComputeQMMgr::calcORCA(), GlobalMasterIMD::calculate(), ComputeQMMgr::calcUSR(), ParseOptions::check_consistency(), LdbCoordinator::collectLoads(), colvarproxy_namd::colvarproxy_namd(), Controller::compareChecksums(), ConfigList::ConfigList(), Output::coordinate(), Controller::correctMomentum(), WorkDistrib::createAtomLists(), WorkDistrib::createHomePatches(), Rebalancer::deAssign(), Molecule::delete_qm_bonded(), ComputeGridForce::do_calc(), ARestraint::EarlyExit(), GlobalMasterMisc::easy_calc(), GlobalMasterMisc::easy_init(), ComputeNonbondedCUDA::finishReductions(), Fopen(), Output::force(), ParseOptions::get(), GlobalMasterIMD::get_vmd_forces(), PressureProfileReduction::getData(), ParseOptions::getfromptr(), GlobalMasterIMD::GlobalMasterIMD(), GlobalMasterSMD::GlobalMasterSMD(), GlobalMasterTMD::GlobalMasterTMD(), GromacsTopFile::GromacsTopFile(), Sequencer::hardWallDrude(), HomePatch::hardWallDrude(), GridforceFullMainGrid::initialize(), GridforceFullSubGrid::initialize(), ParallelIOMgr::initialize(), ComputePmeMgr::initialize(), ComputeMsmMgr::initialize(), ComputePmeCUDAMgr::initialize(), ComputeMsmMgr::initialize_create(), Controller::langevinPiston1(), Controller::langevinPiston2(), NamdState::loadStructure(), ComputeHomeTuples< TholeElem, Thole, TholeValue >::loadTuples(), colvarproxy_namd::log(), main::main(), PatchMap::makePatches(), Sequencer::maximumMove(), Controller::minimize(), HomePatch::minimize_rattle2(), HomePatch::mollyAverage(), parm::moveto(), Rebalancer::multirefine(), my_assert(), my_imd_connect(), NAMD_backup_file(), NAMD_file_exists(), NAMD_write(), RefineTorusLB::newRefine(), LdbCoordinator::nodeDone(), Sync::openSync(), AVector::Out(), AVector::Output(), Controller::outputExtendedSystem(), Controller::outputFepEnergy(), Controller::outputTiEnergy(), WorkDistrib::patchMapInit(), Patch::positionsReady(), Molecule::prepare_qm(), IRSet::print(), ARestraintManager::Print_dU_dLambda_Info(), ALambdaManager::Print_dU_dLambda_Summary(), ALambdaManager::Print_MCTI_Integration(), Parameters::print_param_summary(), Controller::printEnergies(), ARestraintManager::PrintEnergyInfo(), Controller::printFepMessage(), ALambdaControl::PrintHeader(), APosRestraint::PrintInfo(), ADistRestraint::PrintInfo(), AnAngleRestraint::PrintInfo(), ADiheRestraint::PrintInfo(), ALambdaControl::PrintLambdaHeader(), Rebalancer::printLoads(), ARestraintManager::PrintPreInfo(), ARestraintManager::PrintRestraintInfo(), Rebalancer::printResults(), ALambdaManager::PrintSomeSpaces(), Rebalancer::printSummary(), Controller::printTiMessage(), Controller::printTiming(), ProblemParsing(), ComputeQMMgr::procQMRes(), ParseOptions::range(), Sequencer::rattle1(), HomePatch::rattle1(), HomePatch::rattle1old(), HomePatch::rattle2(), read_binary_file(), Parameters::read_charmm_parameter_file(), Parameters::read_ener_table(), Molecule::read_go_file(), Parameters::read_parm(), SimParameters::readExtendedSystem(), parm::readparm(), Controller::reassignVelocities(), LdbCoordinator::rebalance(), Controller::receivePressure(), ParallelIOMgr::recvAtomsCntPerPatch(), ComputeFmmSerialMgr::recvCoord(), ComputeQMMgr::recvPartQM(), ComputeQMMgr::recvPntChrg(), Output::recvReplicaDcdData(), Output::recvReplicaDcdInit(), Rebalancer::refine(), PatchMap::registerPatch(), Controller::rescaleaccelMD(), LdbCoordinator::resumeReady(), Node::run(), ComputeNonbondedUtil::select(), ComputePmeMgr::sendDataPart(), ComputePmeMgr::sendPencils(), ParseOptions::set(), SimParameters::setupIDWS(), Node::startup(), ComputeQMMgr::storeQMRes(), NamdCentLB::Strategy(), Rebalancer::strategy(), tbsoft_sendusage(), TopoManagerWrapper::TopoManagerWrapper(), ComputePme::ungridForces(), ParseOptions::units(), Output::velocity(), Controller::write_accelMDG_rest_file(), and Rebalancer::~Rebalancer().

#define iWARNF   iWARN << iFILE

Definition at line 83 of file InfoStream.h.

#define LOCALMOD (   type)    infostream& operator<<(type x)

Definition at line 34 of file InfoStream.h.

Function Documentation

infostream& endi ( infostream s)

modifiers

Definition at line 38 of file InfoStream.C.

References infostream::endi().

Referenced by Controller::adaptTempInit(), Controller::adaptTempUpdate(), Controller::adaptTempWriteRestart(), GridforceFullSubGrid::addToSubgridsFlat(), after_backend_init(), Controller::algorithm(), ResidueLookupElem::append(), Rebalancer::assign(), Parameters::assign_angle_index(), Parameters::assign_dihedral_index(), Parameters::assign_vdw_index(), WorkDistrib::assignNodeToPatch(), average(), ParallelIOMgr::bcastHydroBasedCounter(), ParallelIOMgr::bcastMolInfo(), Controller::berendsenPressure(), Molecule::build_go_arrays(), Molecule::build_go_params(), Molecule::build_go_sigmas(), Molecule::build_go_sigmas2(), Molecule::build_gridforce_params(), buildExclusions(), WorkDistrib::buildNodeAwarePeOrdering(), ProxyMgr::buildProxySpanningTree(), GridforceFullMainGrid::buildSubgridsFlat(), ComputeQMMgr::calcMOPAC(), ComputeQMMgr::calcORCA(), GlobalMasterIMD::calculate(), ComputeQMMgr::calcUSR(), ParseOptions::check_consistency(), LdbCoordinator::collectLoads(), colvarproxy_namd::colvarproxy_namd(), Controller::compareChecksums(), GridforceFullMainGrid::compute_b(), GridforceFullSubGrid::compute_b(), GridforceLiteGrid::compute_derivative_grids(), GridforceFullBaseGrid::compute_VdV(), GridforceLiteGrid::compute_wts(), ConfigList::ConfigList(), Output::coordinate(), Controller::correctMomentum(), WorkDistrib::createAtomLists(), WorkDistrib::createHomePatches(), Rebalancer::deAssign(), Molecule::delete_qm_bonded(), ComputeGridForce::do_calc(), ComputeGridForce::doForce(), ARestraint::EarlyExit(), GlobalMasterMisc::easy_calc(), GlobalMasterMisc::easy_init(), ComputeNonbondedCUDA::finishReductions(), GridforceGrid::fits_lattice(), Fopen(), Output::force(), ParseOptions::get(), GridforceFullMainGrid::get_all_gridvals(), GridforceLiteGrid::get_all_gridvals(), GridforceGrid::get_corner(), GlobalMasterIMD::get_vmd_forces(), PressureProfileReduction::getData(), ParseOptions::getfromptr(), GlobalMasterIMD::GlobalMasterIMD(), GlobalMasterSMD::GlobalMasterSMD(), GlobalMasterTMD::GlobalMasterTMD(), GridforceFullSubGrid::GridforceFullSubGrid(), Sequencer::hardWallDrude(), HomePatch::hardWallDrude(), GridforceFullMainGrid::initialize(), GridforceFullSubGrid::initialize(), GridforceLiteGrid::initialize(), ParallelIOMgr::initialize(), ComputePmeMgr::initialize(), ComputeMsmMgr::initialize(), ComputePmeCUDAMgr::initialize(), ComputeMsmMgr::initialize_create(), GridforceLiteGrid::linear_interpolate(), NamdState::loadStructure(), ComputeHomeTuples< TholeElem, Thole, TholeValue >::loadTuples(), colvarproxy_namd::log(), main::main(), PatchMap::makePatches(), Sequencer::maximumMove(), Controller::minimize(), HomePatch::minimize_rattle2(), GlobalMaster::modifyRequestedAtoms(), GlobalMaster::modifyRequestedGridObjects(), HomePatch::mollyAverage(), parm::moveto(), Rebalancer::multirefine(), my_assert(), my_imd_connect(), NAMD_backup_file(), NAMD_file_exists(), NAMD_write(), RefineTorusLB::newRefine(), LdbCoordinator::nodeDone(), Sync::openSync(), Controller::outputExtendedSystem(), Controller::outputFepEnergy(), Controller::outputTiEnergy(), GridforceFullBaseGrid::pack(), GridforceFullMainGrid::pack(), GridforceFullSubGrid::pack(), WorkDistrib::patchMapInit(), Patch::positionsReady(), Molecule::prepare_qm(), Molecule::print_atoms(), Molecule::print_bonds(), ARestraintManager::Print_dU_dLambda_Info(), ALambdaManager::Print_dU_dLambda_Summary(), Molecule::print_exclusions(), ALambdaManager::Print_MCTI_Integration(), Parameters::print_param_summary(), Controller::printEnergies(), ARestraintManager::PrintEnergyInfo(), Controller::printFepMessage(), ALambdaControl::PrintHeader(), APosRestraint::PrintInfo(), ADistRestraint::PrintInfo(), AnAngleRestraint::PrintInfo(), ADiheRestraint::PrintInfo(), ALambdaControl::PrintLambdaHeader(), Rebalancer::printLoads(), ARestraintManager::PrintRestraintInfo(), Rebalancer::printSummary(), Controller::printTiMessage(), Controller::printTiming(), ProblemParsing(), ComputeQMMgr::procQMRes(), ParseOptions::range(), Sequencer::rattle1(), HomePatch::rattle1(), HomePatch::rattle1old(), HomePatch::rattle2(), read_binary_file(), Parameters::read_charmm_parameter_file(), Parameters::read_ener_table(), Molecule::read_go_file(), SimParameters::readExtendedSystem(), GridforceFullBaseGrid::readHeader(), parm::readparm(), GridforceFullBaseGrid::readSubgridHierarchy(), Controller::reassignVelocities(), LdbCoordinator::rebalance(), Controller::receivePressure(), ParallelIOMgr::recvAtomsCntPerPatch(), ComputeFmmSerialMgr::recvCoord(), GlobalMasterServer::recvData(), ComputeQMMgr::recvPartQM(), ComputeQMMgr::recvPntChrg(), Output::recvReplicaDcdData(), Output::recvReplicaDcdInit(), Rebalancer::refine(), PatchMap::registerPatch(), GridforceFullMainGrid::reinitialize(), Controller::rescaleaccelMD(), LdbCoordinator::resumeReady(), Node::run(), ComputeNonbondedUtil::select(), Molecule::send_Molecule(), ComputePmeMgr::sendDataPart(), ComputePmeMgr::sendPencils(), ParseOptions::set(), GridforceFullMainGrid::set_all_gridvals(), GridforceLiteGrid::set_all_gridvals(), SimParameters::setupIDWS(), Node::startup(), ComputeQMMgr::storeQMRes(), NamdCentLB::Strategy(), tbsoft_sendusage(), TopoManagerWrapper::TopoManagerWrapper(), ComputePme::ungridForces(), ParseOptions::units(), GridforceFullBaseGrid::unpack(), GridforceFullMainGrid::unpack(), GridforceFullSubGrid::unpack(), Output::velocity(), Controller::write_accelMDG_rest_file(), and Rebalancer::~Rebalancer().

38 { s.endi(); return s; }
void endi()
Definition: InfoStream.C:28
std::ostream& iDEBUG ( std::ostream &  s)

Definition at line 110 of file InfoStream.C.

110 { return s << "DEBUG: "; }
std::ostream& iERROR ( std::ostream &  s)
std::ostream& iINFO ( std::ostream &  s)

common messages iINFO, iWARN, iERROR, iDEBUG provide initial headings. iINFOF, iWARNF, iERRORF, iDEBUGF provide initial headings with file name and line numbers.

<< floats << pointers common messages iINFO, iWARN, iERROR, iDEBUG provide initial headings. iINFOF, iWARNF, iERRORF, iDEBUGF provide initial headings with file name and line numbers.

Definition at line 107 of file InfoStream.C.

Referenced by Controller::adaptTempInit(), after_backend_init(), WorkDistrib::assignNodeToPatch(), average(), ParallelIOMgr::bcastHydroBasedCounter(), ParallelIOMgr::bcastMolInfo(), Molecule::build_go_arrays(), Molecule::build_go_params(), Molecule::build_go_sigmas(), Molecule::build_go_sigmas2(), buildExclusions(), ProxyMgr::buildProxySpanningTree(), GlobalMasterIMD::calculate(), Controller::compareChecksums(), ConfigList::ConfigList(), WorkDistrib::createHomePatches(), Rebalancer::deAssign(), Molecule::delete_qm_bonded(), GlobalMasterMisc::easy_calc(), GlobalMasterMisc::easy_init(), GlobalMasterIMD::get_vmd_forces(), GlobalMasterIMD::GlobalMasterIMD(), GlobalMasterSMD::GlobalMasterSMD(), GlobalMasterTMD::GlobalMasterTMD(), ParallelIOMgr::initialize(), ComputePmeMgr::initialize(), ComputeMsmMgr::initialize(), ComputePmeCUDAMgr::initialize(), ComputeMsmMgr::initialize_create(), Controller::langevinPiston1(), Controller::langevinPiston2(), NamdState::loadStructure(), main::main(), PatchMap::makePatches(), Rebalancer::multirefine(), Sync::openSync(), WorkDistrib::patchMapInit(), Patch::positionsReady(), Molecule::prepare_qm(), Parameters::print_param_summary(), Controller::printEnergies(), Rebalancer::printResults(), Rebalancer::printSummary(), ComputeQMMgr::procQMRes(), read_binary_file(), SimParameters::readExtendedSystem(), Controller::receivePressure(), ParallelIOMgr::recvAtomsCntPerPatch(), ComputeFmmSerialMgr::recvCoord(), ComputeQMMgr::recvPartQM(), Rebalancer::refine(), Node::run(), ComputeNonbondedUtil::select(), Node::startup(), NamdCentLB::Strategy(), Rebalancer::strategy(), tbsoft_sendusage(), and TopoManagerWrapper::TopoManagerWrapper().

107 { return s << "Info: "; }
std::ostream& iPE ( std::ostream &  s)

Definition at line 40 of file InfoStream.C.

Referenced by PatchMap::registerPatch().

40  {
41  return s << "Pe(" << CkMyPe() << ')';
42 }
std::ostream& iWARN ( std::ostream &  s)
std::ostream& operator<< ( std::ostream &  strm,
const Vector v1 
)

Definition at line 44 of file InfoStream.C.

References Vector::x, Vector::y, and Vector::z.

44  {
45  strm << v1.x << " " << v1.y << " " << v1.z;
46  return strm;
47 }
BigReal z
Definition: Vector.h:66
BigReal x
Definition: Vector.h:66
BigReal y
Definition: Vector.h:66
infostream& operator<< ( infostream strm,
const Vector v1 
)

Definition at line 49 of file InfoStream.C.

References Vector::x, Vector::y, and Vector::z.

49  {
50  strm << v1.x << " " << v1.y << " " << v1.z;
51  return strm;
52 }
BigReal z
Definition: Vector.h:66
BigReal x
Definition: Vector.h:66
BigReal y
Definition: Vector.h:66
std::ostream& operator<< ( std::ostream &  strm,
const Tensor t1 
)

Definition at line 55 of file InfoStream.C.

References Tensor::xx, Tensor::xy, Tensor::xz, Tensor::yx, Tensor::yy, Tensor::yz, Tensor::zx, Tensor::zy, and Tensor::zz.

55  {
56  strm << t1.xx << " " << t1.xy << " " << t1.xz << " "
57  << t1.yx << " " << t1.yy << " " << t1.yz << " "
58  << t1.zx << " " << t1.zy << " " << t1.zz;
59  return strm;
60 }
BigReal zy
Definition: Tensor.h:19
BigReal xz
Definition: Tensor.h:17
BigReal yz
Definition: Tensor.h:18
BigReal yx
Definition: Tensor.h:18
BigReal xx
Definition: Tensor.h:17
BigReal zz
Definition: Tensor.h:19
BigReal xy
Definition: Tensor.h:17
BigReal yy
Definition: Tensor.h:18
BigReal zx
Definition: Tensor.h:19
infostream& operator<< ( infostream strm,
const Tensor t1 
)

Definition at line 62 of file InfoStream.C.

References Tensor::xx, Tensor::xy, Tensor::xz, Tensor::yx, Tensor::yy, Tensor::yz, Tensor::zx, Tensor::zy, and Tensor::zz.

62  {
63  strm << t1.xx << " " << t1.xy << " " << t1.xz << " "
64  << t1.yx << " " << t1.yy << " " << t1.yz << " "
65  << t1.zx << " " << t1.zy << " " << t1.zz;
66  return strm;
67 }
BigReal zy
Definition: Tensor.h:19
BigReal xz
Definition: Tensor.h:17
BigReal yz
Definition: Tensor.h:18
BigReal yx
Definition: Tensor.h:18
BigReal xx
Definition: Tensor.h:17
BigReal zz
Definition: Tensor.h:19
BigReal xy
Definition: Tensor.h:17
BigReal yy
Definition: Tensor.h:18
BigReal zx
Definition: Tensor.h:19