Hadrons: contractor trajectory loop and file output

Hadrons/Global.cc

@@ -166,7 +166,13 @@ std::string Hadrons::dirname(const std::string &s)
 
 void Hadrons::makeFileDir(const std::string filename, GridBase *g)
 {
-    if (g->IsBoss())
+    bool doIt = true;
+
+    if (g)
+    {
+        doIt = g->IsBoss();
+    }
+    if (doIt)
     {
         std::string dir    = dirname(filename);
         int         status = mkdir(dir);

Hadrons/Global.hpp

@@ -218,15 +218,15 @@ typedef XmlReader ResultReader;
 typedef XmlWriter ResultWriter;
 #endif
 
-#define RESULT_FILE_NAME(name) \
+#define RESULT_FILE_NAME(name, traj) \
-name + "." + std::to_string(vm().getTrajectory()) + "." + resultFileExt
+name + "." + std::to_string(traj) + "." + resultFileExt
 
 // recursive mkdir
 #define MAX_PATH_LENGTH 512u
 int         mkdir(const std::string dirName);
 std::string basename(const std::string &s);
 std::string dirname(const std::string &s);
-void        makeFileDir(const std::string filename, GridBase *g);
+void        makeFileDir(const std::string filename, GridBase *g = nullptr);
 
 // default Schur convention
 #ifndef HADRONS_DEFAULT_SCHUR 

Hadrons/Module.hpp

@@ -144,7 +144,7 @@ if (env().getGrid()->IsBoss() and !ioStem.empty())\
 {\
     makeFileDir(ioStem, env().getGrid());\
     {\
-        ResultWriter _writer(RESULT_FILE_NAME(ioStem));\
+        ResultWriter _writer(RESULT_FILE_NAME(ioStem, vm().getTrajectory()));\
         write(_writer, name, result);\
     }\
 }

Hadrons/Modules/MScalar/ChargedProp.cc

@@ -146,7 +146,7 @@ void TChargedProp::execute(void)
         std::vector<int>    siteCoor;
 
         LOG(Message) << "Saving momentum-projected propagator to '"
-                     << RESULT_FILE_NAME(par().output) << "'..."
+                     << RESULT_FILE_NAME(par().output, vm().getTrajectory()) << "'..."
                      << std::endl;
         result.projection.resize(par().outputMom.size());
         result.lattice_size = env().getGrid()->_fdimensions;

Hadrons/Modules/MScalar/ScalarVP.cc

@@ -462,7 +462,7 @@ void TScalarVP::execute(void)
     if (!par().output.empty())
     {
         LOG(Message) << "Saving momentum-projected HVP to '"
-                     << RESULT_FILE_NAME(par().output) << "'..."
+                     << RESULT_FILE_NAME(par().output, vm().getTrajectory()) << "'..."
                      << std::endl;
         saveResult(par().output, "HVP", outputData);
     }

Hadrons/Modules/MScalar/VPCounterTerms.cc

@@ -239,7 +239,7 @@ void TVPCounterTerms::execute(void)
     if (!par().output.empty())
     {
         LOG(Message) << "Saving momentum-projected correlators to '"
-                     << RESULT_FILE_NAME(par().output) << "'..."
+                     << RESULT_FILE_NAME(par().output, vm().getTrajectory()) << "'..."
                      << std::endl;
         saveResult(par().output, "scalar_loops", outputData);
     }

Hadrons/Utilities/Contractor.cc

@@ -37,10 +37,20 @@ using namespace Hadrons;
 
 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);
@@ -50,7 +60,7 @@ namespace Contractor
     {
     public:
         GRID_SERIALIZABLE_CLASS_MEMBERS(A2AMatrixPar,
-                                        std::string, file,
+                                        std::string, fileStem,
                                         std::string, dataset,
                                         unsigned int, cacheSize,
                                         std::string, name);
@@ -62,7 +72,18 @@ namespace Contractor
         GRID_SERIALIZABLE_CLASS_MEMBERS(ProductPar,
                                         std::string, terms,
                                         std::vector<std::string>, times,
-                                        std::string, translations);
+                                        std::string, translations,
+                                        bool, translationAverage);
+    };
+
+    class CorrelatorResult: Serializable
+    {
+    public:
+        GRID_SERIALIZABLE_CLASS_MEMBERS(CorrelatorResult,
+                                        std::vector<Contractor::A2AMatrixPar>,  a2aMatrix,
+                                        ProductPar, contraction,
+                                        std::vector<unsigned int>, times,
+                                        std::vector<ComplexD>, correlator);
     };
 }
 
@@ -100,6 +121,26 @@ void makeTimeSeq(std::vector<std::vector<unsigned int>> &timeSeq,
     makeTimeSeq(timeSeq, times, current, times.size());
 }
 
+void saveCorrelator(const Contractor::CorrelatorResult &result, const std::string dir, 
+                    const unsigned int dt, const unsigned int traj)
+{
+    std::string fileStem = "", us = "_", filename;
+
+    for (unsigned int i = 0; i < result.contraction.terms.size() - 1; i++)
+    {
+        fileStem += result.contraction.terms[i] + us + std::to_string(result.times[i]) + us;
+    }
+    fileStem += result.contraction.terms.back();
+    if (!result.contraction.translationAverage)
+    {
+        fileStem += "_dt_" + std::to_string(dt);
+    }
+    filename = dir + "/" + RESULT_FILE_NAME(fileStem, traj);
+    std::cout << "Saving correlator to '" << filename << "'" << std::endl;
+    makeFileDir(dir);
+    ResultWriter writer(filename);
+    write(writer, fileStem, result);
+}
 
 std::set<unsigned int> parseTimeRange(const std::string str, const unsigned int nt)
 {
@@ -108,7 +149,6 @@ std::set<unsigned int> parseTimeRange(const std::string str, const unsigned int
     std::vector<std::string> rstr = strToVec<std::string>(str);
     std::set<unsigned int>   tSet;
 
-
     for (auto &s: rstr)
     {
         std::regex_match(s, sm, rex);
@@ -230,15 +270,21 @@ int main(int argc, char* argv[])
         a2aMat.emplace(p.name, EigenDiskVector<ComplexD>(dirName, par.global.nt, p.cacheSize));
     }
 
-    // load data
+    // trajectory loop
-    for (unsigned int i = 0; i < a2aMat.size(); ++i)
+    for (unsigned int traj = par.global.trajCounter.start; 
+         traj < par.global.trajCounter.end; traj += par.global.trajCounter.step)
     {
-        auto   &p = par.a2aMatrix[i];
+        std::cout << ":::::::: Trajectory " << traj << std::endl;
+
+        // load data
+        for (auto &p: par.a2aMatrix)
+        {
+            std::string filename = RESULT_FILE_NAME(p.fileStem, traj);
             double      t, size;
 
-        std::cout << "======== Loading '" << p.file << "'" << std::endl;
+            std::cout << "======== Loading '" << filename << "'" << std::endl;
 
-        A2AMatrixIo<HADRONS_A2AM_IO_TYPE> a2aIo(p.file, p.dataset, par.global.nt);
+            A2AMatrixIo<HADRONS_A2AM_IO_TYPE> a2aIo(filename, p.dataset, par.global.nt);
 
             a2aIo.load(a2aMat.at(p.name), &t);
             std::cout << "Read " << a2aIo.getSize() << " bytes in " << t/1.0e6 
@@ -254,11 +300,11 @@ int main(int argc, char* argv[])
             std::vector<std::set<unsigned int>>    times;
             std::vector<std::vector<unsigned int>> timeSeq;
             std::set<unsigned int>                 translations;
-        std::vector<ComplexD>                  corr(par.global.nt);
             std::vector<A2AMatrixTr<ComplexD>>     lastTerm(par.global.nt);
             A2AMatrix<ComplexD>                    prod, buf, tmp;
             TimerArray                             tAr;
             double                                 fusec, busec, flops, bytes, tusec;
+            Contractor::CorrelatorResult           result;             
 
             tAr.startTimer("Total");
             std::cout << "======== Contraction tr(";
@@ -277,6 +323,15 @@ int main(int argc, char* argv[])
             {
                 times.push_back(parseTimeRange(s, par.global.nt));
             }
+            for (auto &m: par.a2aMatrix)
+            {
+                if (std::find(result.a2aMatrix.begin(), result.a2aMatrix.end(), m) == result.a2aMatrix.end())
+                {
+                    result.a2aMatrix.push_back(m);
+                }
+            }
+            result.contraction = p;
+            result.correlator.resize(par.global.nt, 0.);
 
             translations = parseTimeRange(p.translations, par.global.nt);
             makeTimeSeq(timeSeq, times);
@@ -309,9 +364,10 @@ int main(int argc, char* argv[])
                 unsigned int dti = 0;
                 auto         &t = timeSeq[i];
 
+                result.times = t;
                 for (unsigned int tLast = 0; tLast < par.global.nt; ++tLast)
                 {
-                corr[tLast] = 0.;
+                    result.correlator[tLast] = 0.;
                 }
                 for (auto &dt: translations)
                 {
@@ -359,7 +415,7 @@ int main(int argc, char* argv[])
                     for (unsigned int tLast = 0; tLast < par.global.nt; ++tLast)
                     {
                         tAr.startTimer("tr(A*B)");
-                    A2AContraction::accTrMul(corr[TIME_MOD(tLast - dt)], prod, lastTerm[tLast]);
+                        A2AContraction::accTrMul(result.correlator[TIME_MOD(tLast - dt)], prod, lastTerm[tLast]);
                         tAr.stopTimer("tr(A*B)");
                         flops += A2AContraction::accTrMulFlops(prod, lastTerm[tLast]);
                         bytes += 2.*prod.rows()*prod.cols()*sizeof(ComplexD);
@@ -368,20 +424,30 @@ int main(int argc, char* argv[])
                     std::cout << Sec(tAr.getDTimer("tr(A*B)") - busec) << " "
                             << Flops(flops, tAr.getDTimer("tr(A*B)") - fusec) << " " 
                             << Bytes(bytes, tAr.getDTimer("tr(A*B)") - busec) << std::endl;
+                    if (!p.translationAverage)
+                    {
+                        saveCorrelator(result, par.global.output, dt, traj);
+                        for (unsigned int tLast = 0; tLast < par.global.nt; ++tLast)
+                        {
+                            result.correlator[tLast] = 0.;
+                        }
+                    }
                     dti++;
                 }
+                if (p.translationAverage)
+                {
                     for (unsigned int tLast = 0; tLast < par.global.nt; ++tLast)
                     {
-                corr[tLast] /= translations.size();
+                        result.correlator[tLast] /= translations.size();
                     }
-            for (unsigned int tLast = 0; tLast < par.global.nt; ++tLast)
+                    saveCorrelator(result, par.global.output, 0, traj);
-            {
-                std::cout << tLast << " " << corr[tLast] << std::endl;
                 }
             }
             tAr.stopTimer("Total");
             printTimeProfile(tAr.getTimings(), tAr.getTimer("Total"));
         }
+    }
+
     
     return EXIT_SUCCESS;
 }