From 6f400218427927c24b0d083306f523348c105876 Mon Sep 17 00:00:00 2001 From: Michael Marshall <43034299+mmphys@users.noreply.github.com> Date: Thu, 1 Aug 2019 19:57:59 +0100 Subject: [PATCH 1/7] Fixed compiler errors: TODO: Felix, please validate --- Grid/qcd/utils/BaryonUtils.h | 27 +++++++----------------- Hadrons/Modules.hpp | 1 - Hadrons/Modules/MContraction/Baryon2.hpp | 2 +- Hadrons/modules.inc | 1 - 4 files changed, 9 insertions(+), 22 deletions(-) diff --git a/Grid/qcd/utils/BaryonUtils.h b/Grid/qcd/utils/BaryonUtils.h index 468c1f78..c658a220 100644 --- a/Grid/qcd/utils/BaryonUtils.h +++ b/Grid/qcd/utils/BaryonUtils.h @@ -165,24 +165,19 @@ LatticeSpinColourMatrix BaryonUtils::quarkContract13(const PropagatorFiel { GridBase *grid = q1._grid; - std::vector> epsilon = {{0,1,2},{1,2,0},{2,0,1},{0,2,1},{2,1,0},{1,0,2}}; std::vector epsilon_sgn = {1,1,1,-1,-1,-1}; std::vector wick_contraction = {0,0,0,0,0,0}; - LatticeSpinColourMatrix q_out=zero; + // TODO: Felix, made a few changes to fix this as there were compiler errors. Please validate! + LatticeSpinColourMatrix q_out(grid); + // q_out = zero; TODO: Don't think you need this, as you'll set each site explicitly anyway parallel_for(int ss=0;ssoSites();ss++){ - - typedef typename ComplexField::vector_object vobj; - - auto D1 = q1._odata[ss]; - auto D2 = q2._odata[ss]; - //auto D_out = q_out._odata[ss]; - //D_out=zero; - - SpinColourMatrix D_out=zero; - + const auto & D1 = q1._odata[ss]; + const auto & D2 = q2._odata[ss]; + auto & D_out = q_out._odata[ss]; + D_out=zero; for (int ie_src=0; ie_src < 6 ; ie_src++){ int a_src = epsilon[ie_src][0]; //a int b_src = epsilon[ie_src][1]; //b @@ -198,14 +193,8 @@ LatticeSpinColourMatrix BaryonUtils::quarkContract13(const PropagatorFiel }}} } } - - q_out._odata[ss]=D_out; - - } //end loop over lattice sites - + } return q_out; - } - }} diff --git a/Hadrons/Modules.hpp b/Hadrons/Modules.hpp index 889763ea..c8c6cd99 100644 --- a/Hadrons/Modules.hpp +++ b/Hadrons/Modules.hpp @@ -60,7 +60,6 @@ #include #include #include -#include #include #include #include diff --git a/Hadrons/Modules/MContraction/Baryon2.hpp b/Hadrons/Modules/MContraction/Baryon2.hpp index df928472..3004248b 100644 --- a/Hadrons/Modules/MContraction/Baryon2.hpp +++ b/Hadrons/Modules/MContraction/Baryon2.hpp @@ -182,7 +182,7 @@ void TBaryon2::execute(void) const Gamma GammaA{ Gamma::Algebra::Identity }; const Gamma GammaB{ al }; - LatticeSpinColourMatrix diquark; + LatticeSpinColourMatrix diquark( q1._grid ); // TODO: Felix, I added "q1._grid". I presume this is correct? diquark = BaryonUtils::quarkContract13(q2*GammaB,GammaB*q3); diff --git a/Hadrons/modules.inc b/Hadrons/modules.inc index a18afd53..1a88f14c 100644 --- a/Hadrons/modules.inc +++ b/Hadrons/modules.inc @@ -142,7 +142,6 @@ modules_hpp =\ Modules/MContraction/WeakEye3pt.hpp \ Modules/MContraction/WeakNonEye3pt.hpp \ Modules/MContraction/Baryon.hpp \ - Modules/MContraction/Baryon_old.hpp \ Modules/MContraction/Meson.hpp \ Modules/MContraction/A2ALoop.hpp \ Modules/MContraction/Gamma3pt.hpp \ From 723457d46751c66246e586e20a3a4e4944f41832 Mon Sep 17 00:00:00 2001 From: Michael Marshall <43034299+mmphys@users.noreply.github.com> Date: Thu, 1 Aug 2019 20:35:55 +0100 Subject: [PATCH 2/7] Contractor updates ready for test on Tesseract: 1) Move definitions of serialisable objects into header for re-use by external programs/utilities 2) Add "-s" switch for "Simple" correlators, i.e. only include A2AMatrix info for the actual fields included in each contraction --- Hadrons/Utilities/Contractor.cc | 115 +++++++++++-------------------- Hadrons/Utilities/Contractor.hpp | 70 +++++++++++++++++++ 2 files changed, 109 insertions(+), 76 deletions(-) diff --git a/Hadrons/Utilities/Contractor.cc b/Hadrons/Utilities/Contractor.cc index cfa4492e..15c970b9 100644 --- a/Hadrons/Utilities/Contractor.cc +++ b/Hadrons/Utilities/Contractor.cc @@ -25,7 +25,8 @@ with this program; if not, write to the Free Software Foundation, Inc., See the full license in the file "LICENSE" in the top level distribution directory *************************************************************************************/ /* END LEGAL */ -#include + +#include #include #include #include @@ -34,67 +35,6 @@ using namespace Grid; using namespace QCD; using namespace Hadrons; -#define TIME_MOD(t) (((t) + par.global.nt) % par.global.nt) - -namespace Contractor -{ - class TrajRange: Serializable - { - public: - GRID_SERIALIZABLE_CLASS_MEMBERS(TrajRange, - unsigned int, start, - unsigned int, end, - unsigned int, step); - }; - - class GlobalPar: Serializable - { - public: - GRID_SERIALIZABLE_CLASS_MEMBERS(GlobalPar, - TrajRange, trajCounter, - unsigned int, nt, - std::string, diskVectorDir, - std::string, output); - }; - - class A2AMatrixPar: Serializable - { - public: - GRID_SERIALIZABLE_CLASS_MEMBERS(A2AMatrixPar, - std::string, file, - std::string, dataset, - unsigned int, cacheSize, - std::string, name); - }; - - class ProductPar: Serializable - { - public: - GRID_SERIALIZABLE_CLASS_MEMBERS(ProductPar, - std::string, terms, - std::vector, times, - std::string, translations, - bool, translationAverage); - }; - - class CorrelatorResult: Serializable - { - public: - GRID_SERIALIZABLE_CLASS_MEMBERS(CorrelatorResult, - std::vector, a2aMatrix, - ProductPar, contraction, - std::vector, times, - std::vector, correlator); - }; -} - -struct ContractorPar -{ - Contractor::GlobalPar global; - std::vector a2aMatrix; - std::vector product; -}; - void makeTimeSeq(std::vector> &timeSeq, const std::vector> ×, std::vector ¤t, @@ -119,10 +59,10 @@ void makeTimeSeq(std::vector> &timeSeq, { std::vector current(times.size()); - makeTimeSeq(timeSeq, times, current, times.size()); + makeTimeSeq(timeSeq, times, current, static_cast(times.size())); } -void saveCorrelator(const Contractor::CorrelatorResult &result, const std::string dir, +void saveCorrelator(const Contractor::CorrelatorResult &result, const std::string dir, const unsigned int dt, const unsigned int traj) { std::string fileStem = "", filename; @@ -239,31 +179,52 @@ inline std::ostream & operator<< (std::ostream& s, const Bytes &&b) int main(int argc, char* argv[]) { // parse command line - std::string parFilename; + std::string parFilename; + bool SimpleCorrelator{ false }; + int ArgCount{ 0 }; + bool bCmdLineError{ false }; + for( int i = 1; i < argc; i++ ) { + if( argv[i][0] == '-' ) { + if( argv[i][1] == 's' && argv[i][2] == 0 ) + SimpleCorrelator = true; + else { + std::cerr << "Urecognised switch \"" << argv[i] << "\"" << std::endl; + bCmdLineError = true; + } + } else { + switch( ++ArgCount ) { + case 1: + parFilename = argv[i]; + break; + default: + std::cerr << "Unused argument \"" << argv[i] << "\"" << std::endl; + break; + } + } + } - if (argc != 2) + if (ArgCount != 1 or bCmdLineError) { - std::cerr << "usage: " << argv[0] << " "; - std::cerr << std::endl; + std::cerr << "usage: " << argv[0] << " " + "\n\t-s\tSimple Correlators (only describe A2AMatrices used for contraction)" + << std::endl; return EXIT_FAILURE; } - parFilename = argv[1]; // parse parameter file - ContractorPar par; + Contractor::ContractorPar par; unsigned int nMat, nCont; XmlReader reader(parFilename); read(reader, "global", par.global); read(reader, "a2aMatrix", par.a2aMatrix); read(reader, "product", par.product); - nMat = par.a2aMatrix.size(); - nCont = par.product.size(); + nMat = static_cast(par.a2aMatrix.size()); + nCont = static_cast(par.product.size()); // create diskvectors std::map> a2aMat; - unsigned int cacheSize; for (auto &p: par.a2aMatrix) { @@ -282,7 +243,7 @@ int main(int argc, char* argv[]) for (auto &p: par.a2aMatrix) { std::string filename = p.file; - double t, size; + double t; tokenReplace(filename, "traj", traj); std::cout << "======== Loading '" << filename << "'" << std::endl; @@ -306,7 +267,7 @@ int main(int argc, char* argv[]) std::vector> lastTerm(par.global.nt); A2AMatrix prod, buf, tmp; TimerArray tAr; - double fusec, busec, flops, bytes, tusec; + double fusec, busec, flops, bytes; Contractor::CorrelatorResult result; tAr.startTimer("Total"); @@ -328,7 +289,9 @@ int main(int argc, char* argv[]) } for (auto &m: par.a2aMatrix) { - if (std::find(result.a2aMatrix.begin(), result.a2aMatrix.end(), m) == result.a2aMatrix.end()) + // For simple correlators, only include A2AMatrix info for correlators in this contraction + if ( ( !SimpleCorrelator or std::find( term.begin(), term.end(), m.name ) != term.end() ) + and std::find(result.a2aMatrix.begin(), result.a2aMatrix.end(), m) == result.a2aMatrix.end()) { result.a2aMatrix.push_back(m); tokenReplace(result.a2aMatrix.back().file, "traj", traj); diff --git a/Hadrons/Utilities/Contractor.hpp b/Hadrons/Utilities/Contractor.hpp index decd13aa..27e55b50 100644 --- a/Hadrons/Utilities/Contractor.hpp +++ b/Hadrons/Utilities/Contractor.hpp @@ -36,4 +36,74 @@ BEGIN_HADRONS_NAMESPACE END_HADRONS_NAMESPACE +#define BEGIN_CONTRACTOR_NAMESPACE namespace Contractor{ +BEGIN_CONTRACTOR_NAMESPACE + +using Grid::Serializable; +using Grid::Reader; +using Grid::Writer; +using Grid::ComplexD; + +class TrajRange: Serializable +{ +public: + GRID_SERIALIZABLE_CLASS_MEMBERS(TrajRange, + unsigned int, start, + unsigned int, end, + unsigned int, step); +}; + +class GlobalPar: Serializable +{ +public: + GRID_SERIALIZABLE_CLASS_MEMBERS(GlobalPar, + TrajRange, trajCounter, + unsigned int, nt, + std::string, diskVectorDir, + std::string, output); +}; + +class A2AMatrixPar: Serializable +{ +public: + GRID_SERIALIZABLE_CLASS_MEMBERS(A2AMatrixPar, + std::string, file, + std::string, dataset, + unsigned int, cacheSize, + std::string, name); +}; + +class ProductPar: Serializable +{ +public: + GRID_SERIALIZABLE_CLASS_MEMBERS(ProductPar, + std::string, terms, + std::vector, times, + std::string, translations, + bool, translationAverage); +}; + +class CorrelatorResult: Serializable +{ +public: + GRID_SERIALIZABLE_CLASS_MEMBERS(CorrelatorResult, + std::vector, a2aMatrix, + ProductPar, contraction, + std::vector, times, + std::vector, correlator); +}; + +struct ContractorPar +{ + Contractor::GlobalPar global; + std::vector a2aMatrix; + std::vector product; +}; + +// Useful ... so long as there's a ContractorPar named par in scope +#define TIME_MOD(t) (((t) + par.global.nt) % par.global.nt) + +#define END_CONTRACTOR_NAMESPACE } +END_CONTRACTOR_NAMESPACE + #endif // Hadrons_Contractor_hpp_ From e598178d9481c1dbfedacbda3f52abc866f1f620 Mon Sep 17 00:00:00 2001 From: Michael Marshall <43034299+mmphys@users.noreply.github.com> Date: Thu, 1 Aug 2019 20:51:51 +0100 Subject: [PATCH 3/7] TODO: Felix, please fix. I commented this out because of compiler errors --- Hadrons/Modules/MContraction/Baryon2.hpp | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/Hadrons/Modules/MContraction/Baryon2.hpp b/Hadrons/Modules/MContraction/Baryon2.hpp index 3004248b..6c2b476d 100644 --- a/Hadrons/Modules/MContraction/Baryon2.hpp +++ b/Hadrons/Modules/MContraction/Baryon2.hpp @@ -187,7 +187,8 @@ void TBaryon2::execute(void) diquark = BaryonUtils::quarkContract13(q2*GammaB,GammaB*q3); //result = trace(GammaA*GammaA * traceColour(q1*traceSpin(diquark))) + 2.0 * trace(GammaA*GammaA*traceColour(q1*diquark)); - result = trace(q1*diquark); + //result = trace(q1*diquark); // TODO: Apologies, Felix - compiler errors + assert( 0 && "TODO: Felix, please fix prior line - compiler errors" ); sliceSum(c,buf,Tp); From 310867d46ae5a7cd0f86c0b1d0ca400b201658e4 Mon Sep 17 00:00:00 2001 From: Michael Marshall <43034299+mmphys@users.noreply.github.com> Date: Fri, 2 Aug 2019 11:25:29 +0100 Subject: [PATCH 4/7] Additional option to specify the separator used between terms in correlator --- Hadrons/Utilities/Contractor.cc | 39 ++++++++++++++++++++++++++------- 1 file changed, 31 insertions(+), 8 deletions(-) diff --git a/Hadrons/Utilities/Contractor.cc b/Hadrons/Utilities/Contractor.cc index 15c970b9..0ce5ecdb 100644 --- a/Hadrons/Utilities/Contractor.cc +++ b/Hadrons/Utilities/Contractor.cc @@ -35,6 +35,9 @@ using namespace Grid; using namespace QCD; using namespace Hadrons; +// Separator to be used between contraction terms only (underscores elsewhere) +std::string Separator{ "_" }; + void makeTimeSeq(std::vector> &timeSeq, const std::vector> ×, std::vector ¤t, @@ -70,12 +73,12 @@ void saveCorrelator(const Contractor::CorrelatorResult &result, const std::strin for (unsigned int i = 0; i < terms.size() - 1; i++) { - fileStem += terms[i] + "_" + std::to_string(result.times[i]) + "_"; + fileStem += terms[i] + "_" + std::to_string(result.times[i]) + Separator; } fileStem += terms.back(); if (!result.contraction.translationAverage) { - fileStem += "_dt_" + std::to_string(dt); + fileStem += Separator + "dt_" + std::to_string(dt); } filename = dir + "/" + RESULT_FILE_NAME(fileStem, traj); std::cout << "Saving correlator to '" << filename << "'" << std::endl; @@ -180,18 +183,36 @@ int main(int argc, char* argv[]) { // parse command line std::string parFilename; - bool SimpleCorrelator{ false }; + bool bOnlyWriteUsedA2AMatrices{ false }; int ArgCount{ 0 }; bool bCmdLineError{ false }; for( int i = 1; i < argc; i++ ) { if( argv[i][0] == '-' ) { - if( argv[i][1] == 's' && argv[i][2] == 0 ) - SimpleCorrelator = true; - else { + // Switches + bool bSwitchOK = false; + switch( argv[i][1] ) { + case 'a': + if( argv[i][2] == 0 ) { + bOnlyWriteUsedA2AMatrices = true; + bSwitchOK = true; + std::cout << "Only A2AMatrices used in each contraction will be written" << std::endl; + } + break; + case 's': + if( argv[i][2] ) + Separator = &argv[i][2]; + else + Separator = "."; + bSwitchOK = true; + std::cout << "Using \"" << Separator << "\" as name separator" << std::endl; + break; + } + if( !bSwitchOK ) { std::cerr << "Urecognised switch \"" << argv[i] << "\"" << std::endl; bCmdLineError = true; } } else { + // Arguments switch( ++ArgCount ) { case 1: parFilename = argv[i]; @@ -206,7 +227,9 @@ int main(int argc, char* argv[]) if (ArgCount != 1 or bCmdLineError) { std::cerr << "usage: " << argv[0] << " " - "\n\t-s\tSimple Correlators (only describe A2AMatrices used for contraction)" + "\n\t-a\tSimple Correlators (only describe A2AMatrices used for contraction)" + "\n\t-s[sep]\tSeparator \"sep\" used between name components." + "\n\t\tDefaults to \"_\", or \".\" if -s specified without sep" << std::endl; return EXIT_FAILURE; @@ -290,7 +313,7 @@ int main(int argc, char* argv[]) for (auto &m: par.a2aMatrix) { // For simple correlators, only include A2AMatrix info for correlators in this contraction - if ( ( !SimpleCorrelator or std::find( term.begin(), term.end(), m.name ) != term.end() ) + if ( ( !bOnlyWriteUsedA2AMatrices or std::find( term.begin(), term.end(), m.name ) != term.end() ) and std::find(result.a2aMatrix.begin(), result.a2aMatrix.end(), m) == result.a2aMatrix.end()) { result.a2aMatrix.push_back(m); From cad76827b0ad1428f5b620a5d29db4045a7b2cc5 Mon Sep 17 00:00:00 2001 From: Michael Marshall <43034299+mmphys@users.noreply.github.com> Date: Fri, 2 Aug 2019 15:47:20 +0100 Subject: [PATCH 5/7] Be consistent about separator usage. Log start / stop / duration --- Hadrons/Utilities/Contractor.cc | 20 +++++++++++++++++--- 1 file changed, 17 insertions(+), 3 deletions(-) diff --git a/Hadrons/Utilities/Contractor.cc b/Hadrons/Utilities/Contractor.cc index 0ce5ecdb..b2002a73 100644 --- a/Hadrons/Utilities/Contractor.cc +++ b/Hadrons/Utilities/Contractor.cc @@ -26,6 +26,8 @@ See the full license in the file "LICENSE" in the top level distribution directo *************************************************************************************/ /* END LEGAL */ +#include +#include #include #include #include @@ -73,12 +75,12 @@ void saveCorrelator(const Contractor::CorrelatorResult &result, const std::strin for (unsigned int i = 0; i < terms.size() - 1; i++) { - fileStem += terms[i] + "_" + std::to_string(result.times[i]) + Separator; + fileStem += terms[i] + Separator + std::to_string(result.times[i]) + Separator; } fileStem += terms.back(); if (!result.contraction.translationAverage) { - fileStem += Separator + "dt_" + std::to_string(dt); + fileStem += Separator + "dt" + Separator + std::to_string(dt); } filename = dir + "/" + RESULT_FILE_NAME(fileStem, traj); std::cout << "Saving correlator to '" << filename << "'" << std::endl; @@ -235,6 +237,11 @@ int main(int argc, char* argv[]) return EXIT_FAILURE; } + // Log what file we're processing and when we started + const std::chrono::system_clock::time_point start{ std::chrono::system_clock::now() }; + std::time_t now = std::chrono::system_clock::to_time_t( start ); + std::cout << "Start " << parFilename << " " << std::ctime( &now ) << std::endl; + // parse parameter file Contractor::ContractorPar par; unsigned int nMat, nCont; @@ -436,6 +443,13 @@ int main(int argc, char* argv[]) printTimeProfile(tAr.getTimings(), tAr.getTimer("Total")); } } - + + // Mention that we're finished, what the time is and how long it took + const std::chrono::system_clock::time_point stop{ std::chrono::system_clock::now() }; + now = std::chrono::system_clock::to_time_t( stop ); + const std::chrono::duration duration_seconds = stop - start; + const double hours{ ( duration_seconds.count() + 0.5 ) / 3600 }; + std::cout << "Stop " << parFilename << " " << std::ctime( &now ) + << "Total duration " << std::fixed << std::setprecision(1) << hours << " hours." << std::endl; return EXIT_SUCCESS; } From ed23f6be206235179f4e5a4393378f36dc5cf935 Mon Sep 17 00:00:00 2001 From: Michael Marshall <43034299+mmphys@users.noreply.github.com> Date: Fri, 2 Aug 2019 15:59:18 +0100 Subject: [PATCH 6/7] Remove blank line from log --- Hadrons/Utilities/Contractor.cc | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/Hadrons/Utilities/Contractor.cc b/Hadrons/Utilities/Contractor.cc index b2002a73..dfb167a8 100644 --- a/Hadrons/Utilities/Contractor.cc +++ b/Hadrons/Utilities/Contractor.cc @@ -240,7 +240,7 @@ int main(int argc, char* argv[]) // Log what file we're processing and when we started const std::chrono::system_clock::time_point start{ std::chrono::system_clock::now() }; std::time_t now = std::chrono::system_clock::to_time_t( start ); - std::cout << "Start " << parFilename << " " << std::ctime( &now ) << std::endl; + std::cout << "Start " << parFilename << " " << std::ctime( &now ); // parse parameter file Contractor::ContractorPar par; From 8d97e2a02a86575d1fb127ad6743b4edb23cab41 Mon Sep 17 00:00:00 2001 From: Michael Marshall <43034299+mmphys@users.noreply.github.com> Date: Fri, 2 Aug 2019 19:23:18 +0100 Subject: [PATCH 7/7] Say which A2AMatrix is being loaded, and which contraction is being performed (m of n) --- Hadrons/Utilities/Contractor.cc | 12 +++++++----- 1 file changed, 7 insertions(+), 5 deletions(-) diff --git a/Hadrons/Utilities/Contractor.cc b/Hadrons/Utilities/Contractor.cc index dfb167a8..7d643778 100644 --- a/Hadrons/Utilities/Contractor.cc +++ b/Hadrons/Utilities/Contractor.cc @@ -244,14 +244,13 @@ int main(int argc, char* argv[]) // parse parameter file Contractor::ContractorPar par; - unsigned int nMat, nCont; XmlReader reader(parFilename); read(reader, "global", par.global); read(reader, "a2aMatrix", par.a2aMatrix); read(reader, "product", par.product); - nMat = static_cast(par.a2aMatrix.size()); - nCont = static_cast(par.product.size()); + const unsigned int nMat { static_cast(par.a2aMatrix.size()) }; + const unsigned int nCont { static_cast(par.product.size()) }; // create diskvectors std::map> a2aMat; @@ -270,13 +269,15 @@ int main(int argc, char* argv[]) std::cout << ":::::::: Trajectory " << traj << std::endl; // load data + int iSeq = 0; for (auto &p: par.a2aMatrix) { std::string filename = p.file; double t; tokenReplace(filename, "traj", traj); - std::cout << "======== Loading '" << filename << "'" << std::endl; + std::cout << "======== Loading '" << filename << "'" + << "\nA2AMatrix " << ++iSeq << " of " << nMat << " = " << p.name << std::endl; A2AMatrixIo a2aIo(filename, p.dataset, par.global.nt); @@ -288,6 +289,7 @@ int main(int argc, char* argv[]) // contract EigenDiskVector::Matrix buf; + iSeq = 0; for (auto &p: par.product) { std::vector term = strToVec(p.terms); @@ -301,7 +303,7 @@ int main(int argc, char* argv[]) Contractor::CorrelatorResult result; tAr.startTimer("Total"); - std::cout << "======== Contraction tr("; + std::cout << "======== Contraction " << ++iSeq << " of " << nCont << " tr("; for (unsigned int g = 0; g < term.size(); ++g) { std::cout << term[g] << ((g == term.size() - 1) ? ')' : '*');