fahbench.diff

diff --git a/fahbench/Simulation.cpp b/fahbench/Simulation.cpp
index 0c8e1b9..94ab01f 100644
--- a/fahbench/Simulation.cpp
+++ b/fahbench/Simulation.cpp
@@ -139,7 +139,9 @@ float Simulation::benchmark(Context & context, Updater & update) const {
         }
         if (nan_check_freq > 0 && i % nan_check_freq == 0)
             StateTests::checkForNans(context.getState(State::Positions | State::Velocities | State::Forces));
+	printf("Step...\n");
         context.getIntegrator().step(1);
+	printf("Done!\n");
     }
     // last getState makes sure everything in the queue has been flushed.
     State finalState = context.getState(State::Positions | State::Velocities | State::Forces | State::Energy);
diff --git a/fahbench/StateTests.cpp b/fahbench/StateTests.cpp
index 5101fb8..e08ab0c 100644
--- a/fahbench/StateTests.cpp
+++ b/fahbench/StateTests.cpp
@@ -28,10 +28,15 @@ void StateTests::checkForNans(const State & state) {
     const vector<Vec3> & velocities = state.getVelocities();
     const vector<Vec3> & forces = state.getForces();
 
-    for (unsigned i = 0; i < positions.size(); i++)
-        for (int j = 0; j < 3; j++)
-            if (isnan(positions[i][j]))
-                throw std::runtime_error(boost::str(boost::format("NaNs detected in positions: (%1%, %2%)") % i % j));
+    for (unsigned i = 0; i < positions.size(); i++) {
+      for (int j = 0; j < 3; j++) {
+	if (isnan(positions[i][j])) {
+	  printf("NaNs detected!\n");
+	  std::string err = boost::str(boost::format("NaNs detected in positions: (%1%, %2%)") % i % j);
+	  throw std::runtime_error(err);
+	}
+      }
+    }
 
     for (unsigned i = 0; i < velocities.size(); i++)
         for (int j = 0; j < 3; j++)
diff --git a/fahbench/cmd/CommandLineUpdater.cpp b/fahbench/cmd/CommandLineUpdater.cpp
index 87fac07..6eee506 100644
--- a/fahbench/cmd/CommandLineUpdater.cpp
+++ b/fahbench/cmd/CommandLineUpdater.cpp
@@ -1,4 +1,5 @@
 #include <iostream>
+#include <cstdio>
 #include "CommandLineUpdater.h"
 
 void CommandLineUpdater::progress(int i, int numSteps, double ns_per_day) {
diff --git a/fahbench/cmd/cmd-main.cpp b/fahbench/cmd/cmd-main.cpp
index e9ef3d8..8a50bd5 100644
--- a/fahbench/cmd/cmd-main.cpp
+++ b/fahbench/cmd/cmd-main.cpp
@@ -188,7 +188,12 @@ int main(int argc, char ** argv) {
 
     CommandLineUpdater updater;
     try {
-        SimulationResult result = simulation.run(updater);
+      SimulationResult result;
+      try {
+	result = simulation.run(updater);
+      } catch (...) {
+	printf("ERROR!\n");
+      }
         updater.message(boost::format(
                             "Final score:  %1$8.4f\n"
                             "Scaled score: %2$8.4f (%3% atoms)\n"