Update

trainer.h

@@ -179,107 +179,6 @@ class MPI_Trainer: public Trainer {
       dm.Tlabels.resize(phi_rows1);
 
     }
-    int calc_desc(MPI_Status &status, int &rows_available, size_t &phi_row) {
-
-      // get work package
-      int fn_length;  // length of the filename char array
-      int first;  // index of the first structure to read from the file
-      int nstruc; // number of structures to be processed
-      MPI_Get_count(&status, MPI_CHAR, &fn_length);
-
-      char *fn  = (char *) malloc(fn_length+1);
-      MPI_Recv (fn, fn_length, MPI_CHAR, 0, TadahCLI::WORK_TAG, MPI_COMM_WORLD, &status);
-      MPI_Recv (&first, 1, MPI_INT, 0, TadahCLI::WORK_TAG, MPI_COMM_WORLD, &status);
-      MPI_Recv (&nstruc, 1, MPI_INT, 0, TadahCLI::WORK_TAG, MPI_COMM_WORLD, &status);
-
-      // do work
-      StructureDB stdb;
-      stdb.add(std::string(fn,fn_length),first,nstruc);
-      nnf.calc(stdb);
-
-      // compute number of rows needed for a given StructureDB
-      int rows_needed = 0;
-      for (size_t s=0; s<stdb.size(); ++s) {
-        int natoms = stdb(s).natoms();
-        rows_needed += DesignMatrixBase::phi_rows_num(config, 1, natoms);
-      }
-
-      if (rows_available<rows_needed) {
-        // we do not have enough rows in the local phi matrix
-        // so we create temp DM of required size
-        DesignMatrix<DM_Function_Base&> temp_dm(*fb, config);
-        temp_dm.Phi.resize(rows_needed,dm.Phi.cols());
-        temp_dm.T.resize(rows_needed);
-        temp_dm.Tlabels.resize(rows_needed);
-
-        // and compute all rows
-        size_t temp_phi_row=0;
-        temp_dm.fill_T(stdb);
-        for (size_t s=0; s<stdb.size(); ++s) {
-          StDescriptors st_d = dc.calc(stdb(s));
-          temp_dm.build(temp_phi_row,stdb(s),st_d); // phi_row++
-        }
-
-        // first we try to fill remaining rows in the local phi matrix
-        // copy top of temp_dm.Phi to the bottom of dm. Phi in reverse order
-        if (rows_available>0) {
-          for (rows_available; rows_available>0; rows_available--) {
-            for (int c=0; c<dm.Phi.cols(); c++) {
-              dm.Phi(phi_row,c) = temp_dm.Phi(rows_available-1,c); 
-              dm.T(phi_row) = temp_dm.T(rows_available-1); 
-              dm.Tlabels(phi_row) = temp_dm.Tlabels(rows_available-1); 
-            }
-            phi_row++;
-            rows_needed--;
-          }
-        }
-
-        // there are no more available rows
-        // send remaining data to available processes
-        while (rows_needed > 0) {
-          // request host 
-          MPI_Send (&rows_needed, 1, MPI_INT, 0, TadahCLI::DATA_TAG, MPI_COMM_WORLD);
-          int rows_accepted; // number of accepted rows
-          int dest; // receiving process
-                    // host returns which dest can accept and how much
-          MPI_Recv (&dest, 1, MPI_INT, 0, TadahCLI::DATA_TAG, MPI_COMM_WORLD, &status);
-
-          MPI_Recv (&rows_accepted, 1, MPI_INT, 0, TadahCLI::DATA_TAG, MPI_COMM_WORLD, &status);
-          // we send data to the host or a willing worker
-          int start=temp_dm.Phi.rows()-rows_needed;
-
-          // Define temp data type for temp Phi matrix 
-          // Phi is stored in a column-major order
-          MPI_Datatype trowvec, trowvecs;
-          MPI_Type_vector( temp_dm.Phi.cols(), 1, temp_dm.Phi.rows(), MPI_DOUBLE, &trowvec); 
-          MPI_Type_commit(&trowvec);
-          MPI_Type_create_resized(trowvec, 0, 1*sizeof(double), &trowvecs);
-          MPI_Type_commit(&trowvecs);
-
-          // ready to send
-          MPI_Send (&temp_dm.Phi.data()[start], rows_accepted, trowvecs, dest, TadahCLI::DATA_TAG, MPI_COMM_WORLD);
-          MPI_Send (&temp_dm.T.data()[start], rows_accepted, MPI_DOUBLE, dest, TadahCLI::DATA_TAG, MPI_COMM_WORLD);
-          MPI_Send (&temp_dm.Tlabels.data()[start], rows_accepted, MPI_DOUBLE, dest, TadahCLI::DATA_TAG, MPI_COMM_WORLD);
-          rows_needed -= rows_accepted;
-          MPI_Type_free(&trowvec);
-          MPI_Type_free(&trowvecs);
-        }
-      }
-      else {
-        // just fill local phi array as it is large enough
-        // fill_T must be called before phi_row is incremented
-        dm.fill_T(stdb,phi_row);  // phi_row is not incremented by this method
-        for (size_t s=0; s<stdb.size(); ++s) {
-          StDescriptors st_d = dc.calc(stdb(s));
-          dm.build(phi_row,stdb(s),st_d); // build() increments phi_row++
-        }
-        rows_available-=rows_needed;
-      }
-
-      if (fn)
-        delete fn;
-      return 0;
-    }
 };
 
 class MPI_Trainer_HOST {
@@ -436,5 +335,106 @@ class MPI_Trainer_WORKER {
       tr.rows_available -= rows_accepted;
       tr.phi_row += rows_accepted;
     }
+    int work_tag(int &worker, int &tag) {
+
+      // get work package
+      int fn_length;  // length of the filename char array
+      int first;  // index of the first structure to read from the file
+      int nstruc; // number of structures to be processed
+      MPI_Get_count(&status, MPI_CHAR, &fn_length);
+
+      char *fn  = (char *) malloc(fn_length+1);
+      MPI_Recv (fn, fn_length, MPI_CHAR, 0, TadahCLI::WORK_TAG, MPI_COMM_WORLD, &status);
+      MPI_Recv (&first, 1, MPI_INT, 0, TadahCLI::WORK_TAG, MPI_COMM_WORLD, &status);
+      MPI_Recv (&nstruc, 1, MPI_INT, 0, TadahCLI::WORK_TAG, MPI_COMM_WORLD, &status);
+
+      // do work
+      StructureDB stdb;
+      stdb.add(std::string(fn,fn_length),first,nstruc);
+      nnf.calc(stdb);
+
+      // compute number of rows needed for a given StructureDB
+      int rows_needed = 0;
+      for (size_t s=0; s<stdb.size(); ++s) {
+        int natoms = stdb(s).natoms();
+        rows_needed += DesignMatrixBase::phi_rows_num(config, 1, natoms);
+      }
+
+      if (rows_available<rows_needed) {
+        // we do not have enough rows in the local phi matrix
+        // so we create temp DM of required size
+        DesignMatrix<DM_Function_Base&> temp_dm(*fb, config);
+        temp_dm.Phi.resize(rows_needed,dm.Phi.cols());
+        temp_dm.T.resize(rows_needed);
+        temp_dm.Tlabels.resize(rows_needed);
+
+        // and compute all rows
+        size_t temp_phi_row=0;
+        temp_dm.fill_T(stdb);
+        for (size_t s=0; s<stdb.size(); ++s) {
+          StDescriptors st_d = dc.calc(stdb(s));
+          temp_dm.build(temp_phi_row,stdb(s),st_d); // phi_row++
+        }
+
+        // first we try to fill remaining rows in the local phi matrix
+        // copy top of temp_dm.Phi to the bottom of dm. Phi in reverse order
+        if (rows_available>0) {
+          for (rows_available; rows_available>0; rows_available--) {
+            for (int c=0; c<dm.Phi.cols(); c++) {
+              dm.Phi(phi_row,c) = temp_dm.Phi(rows_available-1,c); 
+              dm.T(phi_row) = temp_dm.T(rows_available-1); 
+              dm.Tlabels(phi_row) = temp_dm.Tlabels(rows_available-1); 
+            }
+            phi_row++;
+            rows_needed--;
+          }
+        }
+
+        // there are no more available rows
+        // send remaining data to available processes
+        while (rows_needed > 0) {
+          // request host 
+          MPI_Send (&rows_needed, 1, MPI_INT, 0, TadahCLI::DATA_TAG, MPI_COMM_WORLD);
+          int rows_accepted; // number of accepted rows
+          int dest; // receiving process
+                    // host returns which dest can accept and how much
+          MPI_Recv (&dest, 1, MPI_INT, 0, TadahCLI::DATA_TAG, MPI_COMM_WORLD, &status);
+
+          MPI_Recv (&rows_accepted, 1, MPI_INT, 0, TadahCLI::DATA_TAG, MPI_COMM_WORLD, &status);
+          // we send data to the host or a willing worker
+          int start=temp_dm.Phi.rows()-rows_needed;
+
+          // Define temp data type for temp Phi matrix 
+          // Phi is stored in a column-major order
+          MPI_Datatype trowvec, trowvecs;
+          MPI_Type_vector( temp_dm.Phi.cols(), 1, temp_dm.Phi.rows(), MPI_DOUBLE, &trowvec); 
+          MPI_Type_commit(&trowvec);
+          MPI_Type_create_resized(trowvec, 0, 1*sizeof(double), &trowvecs);
+          MPI_Type_commit(&trowvecs);
+
+          // ready to send
+          MPI_Send (&temp_dm.Phi.data()[start], rows_accepted, trowvecs, dest, TadahCLI::DATA_TAG, MPI_COMM_WORLD);
+          MPI_Send (&temp_dm.T.data()[start], rows_accepted, MPI_DOUBLE, dest, TadahCLI::DATA_TAG, MPI_COMM_WORLD);
+          MPI_Send (&temp_dm.Tlabels.data()[start], rows_accepted, MPI_DOUBLE, dest, TadahCLI::DATA_TAG, MPI_COMM_WORLD);
+          rows_needed -= rows_accepted;
+          MPI_Type_free(&trowvec);
+          MPI_Type_free(&trowvecs);
+        }
+      }
+      else {
+        // just fill local phi array as it is large enough
+        // fill_T must be called before phi_row is incremented
+        dm.fill_T(stdb,phi_row);  // phi_row is not incremented by this method
+        for (size_t s=0; s<stdb.size(); ++s) {
+          StDescriptors st_d = dc.calc(stdb(s));
+          dm.build(phi_row,stdb(s),st_d); // build() increments phi_row++
+        }
+        rows_available-=rows_needed;
+      }
+
+      if (fn)
+        delete fn;
+      return 0;
+    }
 };
 #endif