Traces throttling. Preliminary, please test before trusting.

git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@6367 e5b18d87-469d-4833-9cc0-8cdfa06e9491

src/Estimators/TraceManager.h

@@ -1218,6 +1218,12 @@ struct TraceBuffer
     buffer.resize(0,buffer.size(1));
   }
 
+  
+  inline bool empty()
+  {
+    return buffer.size(0)==0;
+  }
+
 
   inline void set_samples(TraceSamples<T>& s)
   {
@@ -1569,6 +1575,7 @@ public:
   bool method_allows_traces;
   bool streaming_traces;
   bool writing_traces;
+  int buffer_steps; //number of steps to buffer data between writes
   bool verbose;
   string format;
   bool hdf_format;
@@ -1587,6 +1594,7 @@ public:
     reset_permissions();
     master_copy    = true;
     communicator   = comm;
+    buffer_steps   = 10;
     format         = "hdf";
     default_domain = "scalars";
     request.set_scalar_domain(default_domain);
@@ -1622,6 +1630,7 @@ public:
     request              = tm.request;
     streaming_traces     = tm.streaming_traces;
     writing_traces       = tm.writing_traces;
+    buffer_steps         = tm.buffer_steps;
     verbose              = tm.verbose;
     format               = tm.format;
     hdf_format           = tm.hdf_format;
@@ -1687,6 +1696,7 @@ public:
       attrib.add(verbose_write,  "verbose"        );
       attrib.add(array,          "particle"          );//legacy
       attrib.add(array_defaults, "particle_defaults" );//legacy
+      attrib.add(buffer_steps,   "buffer"         );//legacy
       attrib.put(cur);
       writing_traces           = writing         == "yes";
       bool scalars_on          = scalar          == "yes";
@@ -1694,6 +1704,8 @@ public:
       bool use_scalar_defaults = scalar_defaults == "yes";
       bool use_array_defaults  = array_defaults  == "yes";
       verbose                  = verbose_write   == "yes";
+      if(buffer_steps<1)
+        APP_ABORT("TraceManager::put  buffer steps cannot be less than 1");
       tolower(format);
       if(format=="hdf")
       {
@@ -2051,34 +2063,43 @@ public:
   }
 
 
-  //write buffered trace data to file
-  inline void write_buffers(vector<TraceManager*>& clones, int block)
+  //monitor what step the run is on, and write when it is time
+  //(throttled write, threaded, critical)
+  inline void monitor_writes(int step,TraceManager* master)
   {
-    if(master_copy)
+    if(step%buffer_steps)
     {
-      if(writing_traces)
+#pragma omp critical(TRACE_BUFFER_WRITE)
       {
-        double tstart = MPI_Wtime();
-        if(verbose)
-          app_log()<<"TraceManager::write_buffers "<<master_copy<<endl;
-        if(hdf_format)
-        {
-          write_buffers_hdf(clones);
-        }
-        if(adios_format)
-        {
-#ifdef HAVE_ADIOS
-          write_buffers_adios(clones, block);
-#else
-          APP_ABORT("TraceManager::write_buffers (adios) ADIOS is not found");
-#endif
-          //app_log()<<"TraceManager::write_buffers (adios) has not yet been implemented"<<endl;
-          app_log()<<" write_buffers() total time "<<MPI_Wtime()-tstart<<endl;
-        }
+        write_buffers(*master);
       }
     }
-    else
-      APP_ABORT("TraceManager::write_buffers should not be called from non-master copy");
+  }
+
+
+  //write buffered trace data to file 
+  inline void write_buffers(TraceManager& master)
+  {
+    if(writing_traces && !buffers_empty())
+    {
+      if(hdf_format)
+        write_buffers_hdf(master);
+      if(adios_format)
+      {
+#ifdef HAVE_ADIOS
+        write_buffers_adios(master);
+#else
+        APP_ABORT("TraceManager::write_buffer (adios) ADIOS is not found");
+#endif
+      }
+      reset_buffers();
+    }
+  }
+
+
+  inline bool buffers_empty()
+  {
+    return int_buffer.empty() && real_buffer.empty();
   }
 
 
@@ -2139,7 +2160,7 @@ public:
 
 
 
-  inline void startRun(int blocks,vector<TraceManager*>& clones)
+  inline void startRun(vector<TraceManager*>& clones)
   {
     if(verbose)
       app_log()<<"TraceManager::startRun "<<master_copy<<endl;
@@ -2148,18 +2169,23 @@ public:
       initialize_traces();
       check_clones(clones);
       open_file(clones);
+      for(int ip=0; ip<clones.size(); ++ip)
+        clones[ip]->reset_buffers();     
     }
     else
       APP_ABORT("TraceManager::startRun should not be called from non-master copy");
   }
 
 
-  inline void stopRun()
+  inline void stopRun(vector<TraceManager*>& clones)
   {
     if(verbose)
       app_log()<<"TraceManager::stopRun "<<master_copy<<endl;
     if(master_copy)
     {
+      if(writing_traces)// flush any additional data from the buffers
+        for(int ip=0; ip<clones.size(); ++ip)
+          clones[ip]->write_buffers(*this);    
       close_file();
       finalize_traces();
     }
@@ -2168,21 +2194,6 @@ public:
   }
 
 
-  inline void startBlock(int nsteps)
-  {
-    if(verbose)
-      app_log()<<"TraceManager::startBlock "<<master_copy<<endl;
-    reset_buffers();
-  }
-
-
-  inline void stopBlock()
-  {
-    if(verbose)
-      app_log()<<"TraceManager::stopBlock "<<master_copy<<endl;
-  }
-
-
   inline void write_summary(string pad="  ")
   {
     string pad2 = pad+"  ";
@@ -2252,16 +2263,10 @@ public:
   }
 
 
-  inline void write_buffers_hdf(vector<TraceManager*>& clones)
+  inline void write_buffers_hdf(TraceManager& master)
   {
-    if(verbose)
-      app_log()<<"TraceManager::write_buffers_hdf "<<master_copy<<endl;
-    for(int ip=0; ip<clones.size(); ++ip)
-    {
-      TraceManager& tm = *clones[ip];
-      tm.int_buffer.write_hdf(*hdf_file,int_buffer.hdf_file_pointer);
-      tm.real_buffer.write_hdf(*hdf_file,real_buffer.hdf_file_pointer);
-    }
+    int_buffer.write_hdf(*master.hdf_file,master.int_buffer.hdf_file_pointer);
+    real_buffer.write_hdf(*master.hdf_file,master.real_buffer.hdf_file_pointer);
   }
 
 

src/QMCDrivers/CorrelatedSampling/CSVMC.cpp

@@ -196,7 +196,7 @@ bool CSVMC::run()
   Estimators->start(nBlocks);
   for (int ip=0; ip<NumThreads; ++ip)
     CSMovers[ip]->startRun(nBlocks,false);
-  Traces->startRun(nBlocks,traceClones);
+  Traces->startRun(traceClones);
   const bool has_collectables=W.Collectables.size();
   ADIOS_PROFILE::profile_adios_init(nBlocks);
   for (int block=0; block<nBlocks; ++block)
@@ -227,6 +227,7 @@ bool CSVMC::run()
           wClones[ip]->saveEnsemble(wit,wit_end);
 //           if(storeConfigs && (now_loc%storeConfigs == 0))
 //             ForwardWalkingHistory.storeConfigsForForwardWalking(*wClones[ip]);
+        traceClones[ip]->monitor_writes(now_loc,Traces);
       }
       CSMovers[ip]->stopBlock(false);
      // app_log()<<"THREAD "<<ip<<endl;
@@ -236,11 +237,6 @@ bool CSVMC::run()
     //Estimators->accumulateCollectables(wClones,nSteps);
     CurrentStep+=nSteps;
     Estimators->stopBlock(estimatorClones);
-    ADIOS_PROFILE::profile_adios_end_comp(block);
-    ADIOS_PROFILE::profile_adios_start_trace(block);
-    Traces->write_buffers(traceClones, block);
-    ADIOS_PROFILE::profile_adios_end_trace(block);
-    ADIOS_PROFILE::profile_adios_start_checkpoint(block);
     if(storeConfigs)
       recordBlock(block);
     ADIOS_PROFILE::profile_adios_end_checkpoint(block);
@@ -249,7 +245,7 @@ bool CSVMC::run()
   Estimators->stop(estimatorClones);
   for (int ip=0; ip<NumThreads; ++ip)
     CSMovers[ip]->stopRun2();
-  Traces->stopRun();
+  Traces->stopRun(traceClones);
   //copy back the random states
   for (int ip=0; ip<NumThreads; ++ip)
     *(RandomNumberControl::Children[ip])=*(Rng[ip]);

src/QMCDrivers/DMC/DMCOMP.cpp

@@ -243,7 +243,7 @@ bool DMCOMP::run()
   Estimators->start(nBlocks);
   for(int ip=0; ip<NumThreads; ip++)
     Movers[ip]->startRun(nBlocks,false);
-  Traces->startRun(nBlocks,traceClones);
+  Traces->startRun(traceClones);
   Timer myclock;
   IndexType block = 0;
   IndexType updatePeriod=(QMCDriverMode[QMC_UPDATE_MODE])?Period4CheckProperties:(nBlocks+1)*nSteps;
@@ -280,6 +280,7 @@ bool DMCOMP::run()
         Movers[ip]->setMultiplicity(wit,wit_end);
         if(QMCDriverMode[QMC_UPDATE_MODE] && now%updatePeriod == 0)
           Movers[ip]->updateWalkers(wit, wit_end);
+        traceClones[ip]->monitor_writes(now,Traces);
       }
 
       prof.pop(); //close dmc_advance
@@ -304,7 +305,6 @@ bool DMCOMP::run()
     }
 //       branchEngine->debugFWconfig();
     Estimators->stopBlock(acceptRatio());
-    Traces->write_buffers(traceClones, block);
     block++;
     if(DumpConfig &&block%Period4CheckPoint == 0)
     {
@@ -322,7 +322,7 @@ bool DMCOMP::run()
   Estimators->stop();
   for (int ip=0; ip<NumThreads; ++ip)
     Movers[ip]->stopRun2();
-  Traces->stopRun();
+  Traces->stopRun(traceClones);
   return finalize(nBlocks);
 }
 

src/QMCDrivers/QMCUpdateBase.cpp

@@ -154,7 +154,6 @@ void QMCUpdateBase::stopRun2()
 void QMCUpdateBase::startBlock(int steps)
 {
   Estimators->startBlock(steps);
-  Traces->startBlock(steps);
   nAccept = 0;
   nReject=0;
   nAllRejected=0;
@@ -165,7 +164,6 @@ void QMCUpdateBase::startBlock(int steps)
 void QMCUpdateBase::stopBlock(bool collectall)
 {
   Estimators->stopBlock(acceptRatio(),collectall);
-  Traces->stopBlock();
 }
 
 void QMCUpdateBase::initWalkers(WalkerIter_t it, WalkerIter_t it_end)

src/QMCDrivers/RMC/RMCSingleOMP.cpp

@@ -52,7 +52,7 @@ bool RMCSingleOMP::run()
    
   for (int ip=0; ip<NumThreads; ++ip)
     Movers[ip]->startRun(nBlocks,false);
-  Traces->startRun(nBlocks,traceClones);
+  Traces->startRun(traceClones);
   const bool has_collectables=W.Collectables.size();
   for (int block=0; block<nBlocks; ++block)
     {

src/QMCDrivers/VMC/VMCSingleOMP.cpp

@@ -53,7 +53,7 @@ bool VMCSingleOMP::run()
   Estimators->start(nBlocks);
   for (int ip=0; ip<NumThreads; ++ip)
     Movers[ip]->startRun(nBlocks,false);
-  Traces->startRun(nBlocks,traceClones);
+  Traces->startRun(traceClones);
   const bool has_collectables=W.Collectables.size();
   for (int block=0; block<nBlocks; ++block)
   {
@@ -82,20 +82,20 @@ bool VMCSingleOMP::run()
           wClones[ip]->saveEnsemble(wit,wit_end);
 //           if(storeConfigs && (now_loc%storeConfigs == 0))
 //             ForwardWalkingHistory.storeConfigsForForwardWalking(*wClones[ip]);
+        traceClones[ip]->monitor_writes(now_loc,Traces);
       }
       Movers[ip]->stopBlock(false);
     }//end-of-parallel for
     //Estimators->accumulateCollectables(wClones,nSteps);
     CurrentStep+=nSteps;
     Estimators->stopBlock(estimatorClones);
-    Traces->write_buffers(traceClones, block);
     if(storeConfigs)
       recordBlock(block);
   }//block
   Estimators->stop(estimatorClones);
   for (int ip=0; ip<NumThreads; ++ip)
     Movers[ip]->stopRun2();
-  Traces->stopRun();
+  Traces->stopRun(traceClones);
   //copy back the random states
   for (int ip=0; ip<NumThreads; ++ip)
     *(RandomNumberControl::Children[ip])=*(Rng[ip]);