NAMD
Classes | Functions
InfoStream.C File Reference
#include "InfoStream.h"
#include "charm++.h"
#include "Vector.h"
#include "Tensor.h"
#include <stdio.h>

Go to the source code of this file.

Classes

class  CkPrintf_stringbuf
 

Functions

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

Function Documentation

CkpvExtern ( infostream  ,
iout_obj   
)

Copyright (c) 1995, 1996, 1997, 1998, 1999, 2000 by The Board of Trustees of the University of Illinois. All rights reserved.

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