Changeset f137f7 for src

Timestamp:

Aug 31, 2012, 2:22:08 PM (13 years ago)

Author:

Frederik Heber <heber@…>

Children:

fd6273

Parents:

0d2f18

Message:

FIX: Timings are now correctly working also for gather times.

File:

• src/bin/mpqc/mpqc.cc (modified) (4 diffs)

src/bin/mpqc/mpqc.cc

@@ -1220 +1220 @@
 }
 
+/** Finds the region index to a given timer region name.
+ *
+ * @param nregion number of regions
+ * @param region_names array with name of each region
+ * @param name name of desired region
+ * @return index of desired region in array
+ */
+int findTimerRegion(const int &nregion, const char **&region_names, const char *name)
+{
+  size_t region=0;
+  for (;region<nregion;++region) {
+    //std::cout << "Comparing " << region_names[region] << " and " << name << "." << std::endl;
+    if (strcmp(region_names[region], name) == 0)
+      break;
+  }
+  if (region == nregion)
+    region = 0;
+  return region;
+}
+
 /** Performs the main work to calculate the ground state energies, gradients, etc.
  *
@@ -1465 +1485 @@
   }
   if (parsedkv.nonnull()) print_unseen(parsedkv, input);
-
-  if (print_timings)
-    if (tim.nonnull()) tim->print(ExEnv::out0());
 
   // here, we may gather the results
@@ -1759 +1776 @@
      }
      scf = 0;
-     if (tim.nonnull()) tim->exit("gather");
-     {
-       // times obtain from key "mpqc" which should be the first
-       const int nregion = tim->nregion();
-       std::cout << "There are " << nregion << " timed regions." << std::endl;
-       double *cpu_time = new double[nregion];
-       double *wall_time = new double[nregion];
-       double *flops = new double[nregion];
-       const char **region_names = new const char*[nregion];
-       tim->get_region_names(region_names);
-       // find "gather"
-       size_t gather_region=0;
-       for (;gather_region<nregion;++gather_region) {
-         std::cout << "Comparing " << region_names[gather_region] << " and 'gather'" << std::endl;
-         if (strcmp(region_names[gather_region], "gather") == 0)
-           break;
-       }
-       if (gather_region == nregion)
-         gather_region = nregion;
-       tim->get_cpu_times(cpu_time);
-       tim->get_wall_times(wall_time);
-       tim->get_flops(flops);
-       if (cpu_time != NULL) {
-         data.times.total_cputime = cpu_time[0];
-         data.times.gather_cputime = cpu_time[nregion];
-       }
-       if (wall_time != NULL) {
-         data.times.total_walltime = wall_time[0];
-         data.times.gather_walltime = wall_time[nregion];
-       }
-       if (flops != NULL) {
-         data.times.total_flops = flops[0];
-         data.times.gather_flops = flops[nregion];
-       }
-       delete[] cpu_time;
-       delete[] wall_time;
-       delete[] flops;
-     }
 
 //     // GaussianShell is the actual orbital functions it seems ...
@@ -1830 +1809 @@
 //     delete[] b_val;
   }
+  if (tim.nonnull()) tim->exit("gather");
+
+  if (print_timings)
+    if (tim.nonnull()) tim->print(ExEnv::out0());
+
+
+  {
+    // times obtain from key "mpqc" which should be the first
+    const int nregion = tim->nregion();
+    //std::cout << "There are " << nregion << " timed regions." << std::endl;
+    const char **region_names = new const char*[nregion];
+    tim->get_region_names(region_names);
+    // find "gather"
+    size_t gather_region = findTimerRegion(nregion, region_names, "gather");
+    size_t mpqc_region = findTimerRegion(nregion, region_names, "mpqc");
+
+    // get timings
+    double *cpu_time = new double[nregion];
+    double *wall_time = new double[nregion];
+    double *flops = new double[nregion];
+    tim->get_cpu_times(cpu_time);
+    tim->get_wall_times(wall_time);
+    tim->get_flops(flops);
+    if (cpu_time != NULL) {
+      data.times.total_cputime = cpu_time[mpqc_region];
+      data.times.gather_cputime = cpu_time[gather_region];
+    }
+    if (wall_time != NULL) {
+      data.times.total_walltime = wall_time[mpqc_region];
+      data.times.gather_walltime = wall_time[gather_region];
+    }
+    if (flops != NULL) {
+      data.times.total_flops = flops[mpqc_region];
+      data.times.gather_flops = flops[gather_region];
+    }
+    delete[] cpu_time;
+    delete[] wall_time;
+    delete[] flops;
+  }
 
   delete[] molname;