--- trunk/OOPSE/libmdtools/mdProfile.cpp	2003/12/19 17:25:00	887
+++ trunk/OOPSE/libmdtools/mdProfile.cpp	2004/05/27 00:48:12	1198
@@ -10,6 +10,7 @@
 #include "mpiSimulation.hpp"
 #endif //is_mpi
 
+#include "config.h"
 #include "simError.h"
 #include "mdProfile.hpp"
 
@@ -30,10 +31,17 @@ namespace mdProfileSpace {
 #ifdef IS_MPI
   double globalTime[N_PROFILES];
 #endif //is_mpi
+
   
 }
 
+extern "C"{
+  
+  void F90_FUNC(gettimes, GETTIMES)(double* forceTime, 
+				    double* commTime);
+}
 
+
 using namespace mdProfileSpace;
 
 
@@ -50,14 +58,14 @@ void initProfile( void ){
 #endif //is_mpi
   }
 
-  strncpy( theNames[pro1].myName, "unamed1", MAX_PROFILE_NAMELENGTH );
-  strncpy( theNames[pro2].myName, "unamed2", MAX_PROFILE_NAMELENGTH );
-  strncpy( theNames[pro3].myName, "unamed3", MAX_PROFILE_NAMELENGTH );
-  strncpy( theNames[pro4].myName, "unamed4", MAX_PROFILE_NAMELENGTH );
-  strncpy( theNames[pro5].myName, "unamed5", MAX_PROFILE_NAMELENGTH );
-  strncpy( theNames[pro6].myName, "unamed6", MAX_PROFILE_NAMELENGTH );
-  strncpy( theNames[pro7].myName, "unamed7", MAX_PROFILE_NAMELENGTH );
-  strncpy( theNames[pro8].myName, "unamed8", MAX_PROFILE_NAMELENGTH );
+  strncpy( theNames[pro1].myName, "Integrator->integrateStep()", MAX_PROFILE_NAMELENGTH );
+  strncpy( theNames[pro2].myName, "Integrator->writes and stats", MAX_PROFILE_NAMELENGTH );
+  strncpy( theNames[pro3].myName, "Integrator->preMove", MAX_PROFILE_NAMELENGTH );
+  strncpy( theNames[pro4].myName, "Integrator->moveA", MAX_PROFILE_NAMELENGTH );
+  strncpy( theNames[pro5].myName, "Integrator->CalcForce", MAX_PROFILE_NAMELENGTH );
+  strncpy( theNames[pro6].myName, "Integrator->moveB", MAX_PROFILE_NAMELENGTH );
+  strncpy( theNames[pro7].myName, "shortRange force calc", MAX_PROFILE_NAMELENGTH );
+  strncpy( theNames[pro8].myName, "fortran force calc", MAX_PROFILE_NAMELENGTH );
 }
 
 
@@ -91,16 +99,18 @@ void writeProfiles( void ){
   int days, hours, minutes, secs, msecs;
   double donkey;
   
+  double forceTime, commTime;
+  
 #ifdef IS_MPI
   int j;
 
   MPI_Status istatus;    
 
-  double nodeTime;
+  double nodeTime, nodeForceTime, nodeCommTime;
   double nodeAccum[N_PROFILES];
   double nodePercent[N_PROFILES];
 
-  double globalTime;
+  double globalTime, globalForceTime, globalCommTime;
   double globalAccum[N_PROFILES];
   double globalPercent[N_PROFILES];
 #endif // is_mpi
@@ -140,22 +150,28 @@ void writeProfiles( void ){
   secs = (int)donkey;
   msecs = (int)( (donkey - secs) * 1000 );
 
+  F90_FUNC(gettimes, GETTIMES)(&forceTime, &commTime);
+
   fprintf( stdout,
 	   "----------------------------------------------------------------------------\n"
-	   "  Total Time = %03d:%02d:%02d:%02d.%03d ( %G sec )\n",
+	   "  Total Time = %03d:%02d:%02d:%02d.%03d ( %G sec )\n"
+	   "\n"
+	   "  From Fortran: forceTime = %G secs; communicationTime = %G secs.\n",
 	   days,
 	   hours,
 	   minutes,
 	   secs,
 	   msecs,
-	   totalTime );
+	   totalTime,
+	   forceTime,
+	   commTime);
 
 #else // the parrallel version
 
   if( worldRank == 0 ){
     
-    double *nodeTots = new double[mpiSim->getNumberProcessors()];
-    double *nodePercentTots = new double[mpiSim->getNumberProcessors()];
+    double *nodeTots = new double[mpiSim->getNprocessors()];
+    double *nodePercentTots = new double[mpiSim->getNprocessors()];
     
     totalTime = 0.0;
     for(i=0;i<N_PROFILES;i++)
@@ -193,32 +209,45 @@ void writeProfiles( void ){
     secs = (int)donkey;
     msecs = (int)( (donkey - secs) * 1000 );
     
+    F90_FUNC(gettimes, GETTIMES)(&forceTime, &commTime);
+
     fprintf( stdout,
 	     "----------------------------------------------------------------------------\n"
-	     "  Total Time = %03d:%02d:%02d:%02d.%03d ( %G sec )\n",
+	     "  Total Time = %03d:%02d:%02d:%02d.%03d ( %G sec )\n"
+	     "\n"
+	     "  From Fortran: forceTime = %G secs; communicationTime = %G secs.\n",
 	     days,
 	     hours,
 	     minutes,
 	     secs,
 	     msecs,
-	     totalTime );
+	     totalTime,
+	     forceTime,
+	     commTime);
     
     // now the rest of the nodes
     
     nodeTots[0] = totalTime;
     
-    globalTime = 0.0;
+    globalTime = totalTime;
+    globalForceTime = forceTime;
+    globalCommTime = commTime;
     for(i=0;i<N_PROFILES;i++)
       globalAccum[i] = accumTime[i];
     
     
-    for(j=1;j<mpiSim->getNumberProcessors();j++){
+    for(j=1;j<mpiSim->getNprocessors();j++){
       
       nodeTime = 0.0;
      
       MPI_Recv(nodeAccum, N_PROFILES, MPI_DOUBLE, j,
 	       1, MPI_COMM_WORLD, &istatus );
 
+      MPI_Recv(&nodeForceTime, 1, MPI_DOUBLE, j,
+	       1, MPI_COMM_WORLD, &istatus );
+      MPI_Recv(&nodeCommTime, 1, MPI_DOUBLE, j,
+	       1, MPI_COMM_WORLD, &istatus );
+
       for(i=0;i<N_PROFILES;i++){
 	nodeTime += nodeAccum[i];
       }
@@ -257,24 +286,30 @@ void writeProfiles( void ){
       
       fprintf( stdout,
 	       "----------------------------------------------------------------------------\n"
-	       "  Total Time = %03d:%02d:%02d:%02d.%03d ( %G sec )\n",
+	       "  Total Time = %03d:%02d:%02d:%02d.%03d ( %G sec )\n"
+	       "\n"
+	       "  From Fortran: forceTime = %G secs; communicationTime = %G secs.\n",
 	       days,
 	       hours,
 	       minutes,
 	       secs,
 	       msecs,
-	       nodeTime );
+	       nodeTime,
+	       nodeForceTime,
+	       nodeCommTime);
       
       for(i=0;i<N_PROFILES;i++)
 	globalAccum[i] += nodeAccum[i];
       
       globalTime += nodeTime;
+      globalForceTime += nodeForceTime;
+      globalCommTime += nodeCommTime;
       nodeTots[j] = nodeTime;
     }
 
     // print out the totals
     
-    for(j=0;j<mpiSim->getNumberProcessors();j++)
+    for(j=0;j<mpiSim->getNprocessors();j++)
       nodePercentTots[j] = nodeTots[j] / globalTime;
     
     for(i=0;i<N_PROFILES;i++)
@@ -300,7 +335,7 @@ void writeProfiles( void ){
 	    "\n"
 	    "\n" );
     
-    for(j=0;j<mpiSim->getNumberProcessors();j++){
+    for(j=0;j<mpiSim->getNprocessors();j++){
       
       fprintf(stdout,
 	      " %12G    %14G     node %d\n",
@@ -324,22 +359,30 @@ void writeProfiles( void ){
     
     fprintf( stdout,
 	     "----------------------------------------------------------------------------\n"
-	     "  Total Time = %03d:%02d:%02d:%02d.%03d ( %G sec )\n",
+	     "  Total Time = %03d:%02d:%02d:%02d.%03d ( %G sec )\n"
+	     "\n"
+	     "  From Fortran: forceTime = %G secs; communicationTime = %G secs.\n",
 	     days,
 	     hours,
 	     minutes,
 	     secs,
 	     msecs,
-	     globalTime );
+	     globalTime,
+	     globalForceTime,
+	     globalCommTime);
   }
 
   else{
 
-    for(j=1;j<mpiSim->getNumberProcessors();j++){
+    for(j=1;j<mpiSim->getNprocessors();j++){
       
       if( worldRank == j ){
 	
+	F90_FUNC(gettimes, GETTIMES)(&forceTime, &commTime);
+
 	MPI_Send( accumTime, N_PROFILES, MPI_DOUBLE, 0, 1, MPI_COMM_WORLD );
+	MPI_Send( &forceTime, 1, MPI_DOUBLE, 0, 1, MPI_COMM_WORLD );
+	MPI_Send( &commTime, 1, MPI_DOUBLE, 0, 1, MPI_COMM_WORLD );
       }
     }
   }