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 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)
 
std::ostream & operator<< (std::ostream &strm, const Tensor &t1)
 
std::ostream & endi (std::ostream &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 49 of file InfoStream.h.

#define iERRORF   iERROR << iFILE

Definition at line 48 of file InfoStream.h.

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

Definition at line 45 of file InfoStream.h.

#define iINFOF   iINFO << iFILE

Definition at line 46 of file InfoStream.h.

#define iout   infostream::access_iout_obj()

Definition at line 51 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(), AmberParm7Reader::parse_section(), 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(), AmberParm7Reader::read_amber_parm_stage2(), read_binary_file(), Parameters::read_charmm_parameter_file(), Parameters::read_ener_table(), Molecule::read_go_file(), Parameters::read_parm(), SimParameters::readExtendedSystem(), parm::readparm(), AmberParm7Reader::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 47 of file InfoStream.h.

Function Documentation

std::ostream& endi ( std::ostream &  s)

modifiers

Definition at line 54 of file InfoStream.C.

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(), AmberParm7Reader::parse_section(), 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(), AmberParm7Reader::read_amber_parm_stage2(), read_binary_file(), Parameters::read_charmm_parameter_file(), Parameters::read_ener_table(), Molecule::read_go_file(), SimParameters::readExtendedSystem(), GridforceFullBaseGrid::readHeader(), parm::readparm(), AmberParm7Reader::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().

54  {
55  // flush() will cause overloaded sync() to be called
56  // https://www.cplusplus.com/reference/ostream/ostream/flush/
57  s.flush();
58  return s;
59 }
std::ostream& iDEBUG ( std::ostream &  s)

Definition at line 84 of file InfoStream.C.

84 { 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.

Definition at line 81 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(), AmberParm7Reader::parse_section(), WorkDistrib::patchMapInit(), Patch::positionsReady(), Molecule::prepare_qm(), Parameters::print_param_summary(), Controller::printEnergies(), Rebalancer::printResults(), Rebalancer::printSummary(), ComputeQMMgr::procQMRes(), read_binary_file(), SimParameters::readExtendedSystem(), AmberParm7Reader::readparm(), 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().

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

Definition at line 61 of file InfoStream.C.

Referenced by PatchMap::registerPatch().

61  {
62  return s << "Pe(" << CkMyPe() << ')';
63 }
std::ostream& iWARN ( std::ostream &  s)
std::ostream& operator<< ( std::ostream &  strm,
const Vector v1 
)

Definition at line 65 of file InfoStream.C.

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

65  {
66  strm << v1.x << " " << v1.y << " " << v1.z;
67  return strm;
68 }
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 70 of file InfoStream.C.

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

70  {
71  strm << t1.xx << " " << t1.xy << " " << t1.xz << " "
72  << t1.yx << " " << t1.yy << " " << t1.yz << " "
73  << t1.zx << " " << t1.zy << " " << t1.zz;
74  return strm;
75 }
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