Merge remote-tracking branch 'upstream/master'

platforms/reference/tests/TestReferenceCustomManyParticleForce.cpp

@@ -51,6 +51,8 @@
 using namespace OpenMM;
 using namespace std;
 
+ReferencePlatform platform;
+
 const double TOL = 1e-5;
 
 Vec3 computeDelta(const Vec3& pos1, const Vec3& pos2, bool periodic, const Vec3* periodicBoxVectors) {
@@ -93,7 +95,6 @@ void validateAxilrodTeller(CustomManyParticleForce* force, const vector<Vec3>& p
         ASSERT(!system.usesPeriodicBoundaryConditions());
     }
     VerletIntegrator integrator(0.001);
-    ReferencePlatform platform;
     Context context(system, integrator, platform);
     context.setPositions(positions);
     State state1 = context.getState(State::Forces | State::Energy);
@@ -155,7 +156,6 @@ void validateStillingerWeber(CustomManyParticleForce* force, const vector<Vec3>&
     system.setDefaultPeriodicBoxVectors(Vec3(boxSize, 0, 0), Vec3(0, boxSize, 0), Vec3(0, 0, boxSize));
     system.addForce(force);
     VerletIntegrator integrator(0.001);
-    ReferencePlatform platform;
     Context context(system, integrator, platform);
     context.setPositions(positions);
     State state1 = context.getState(State::Forces | State::Energy);
@@ -340,7 +340,6 @@ void testExclusions() {
 
 void testAllTerms() {
     int numParticles = 4;
-    ReferencePlatform platform;
     
     // Create a system with a CustomManyParticleForce.
     
@@ -424,7 +423,6 @@ void testParameters() {
     }
     system.addForce(force);
     VerletIntegrator integrator(0.001);
-    ReferencePlatform platform;
     Context context(system, integrator, platform);
     context.setPositions(positions);
     
@@ -510,7 +508,6 @@ void testTabulatedFunctions() {
     }
     system.addForce(force);
     VerletIntegrator integrator(0.001);
-    ReferencePlatform platform;
     Context context(system, integrator, platform);
     context.setPositions(positions);
     
@@ -562,7 +559,6 @@ void testTypeFilters() {
     force->setTypeFilter(2, f2);
     system.addForce(force);
     VerletIntegrator integrator(0.001);
-    ReferencePlatform platform;
     Context context(system, integrator, platform);
     context.setPositions(positions);
     

platforms/reference/tests/TestReferenceCustomNonbondedForce.cpp

@@ -53,10 +53,11 @@
 using namespace OpenMM;
 using namespace std;
 
+ReferencePlatform platform;
+
 const double TOL = 1e-5;
 
 void testSimpleExpression() {
-    ReferencePlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -79,7 +80,6 @@ void testSimpleExpression() {
 }
 
 void testParameters() {
-    ReferencePlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -140,7 +140,6 @@ void testParameters() {
 }
 
 void testExclusions() {
-    ReferencePlatform platform;
     System system;
     VerletIntegrator integrator(0.01);
     CustomNonbondedForce* nonbonded = new CustomNonbondedForce("a*r; a=a1+a2");
@@ -171,7 +170,6 @@ void testExclusions() {
 }
 
 void testCutoff() {
-    ReferencePlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -201,7 +199,6 @@ void testCutoff() {
 }
 
 void testPeriodic() {
-    ReferencePlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -232,7 +229,6 @@ void testPeriodic() {
 }
 
 void testTriclinic() {
-    ReferencePlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -292,7 +288,6 @@ void testTriclinic() {
 }
 
 void testContinuous1DFunction() {
-    ReferencePlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -337,7 +332,6 @@ void testContinuous2DFunction() {
     const double xmax = 1.5;
     const double ymin = 0.0;
     const double ymax = 2.1;
-    ReferencePlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -389,7 +383,6 @@ void testContinuous3DFunction() {
     const double ymax = 0.7;
     const double zmin = 0.2;
     const double zmax = 0.9;
-    ReferencePlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -439,7 +432,6 @@ void testContinuous3DFunction() {
 }
 
 void testDiscrete1DFunction() {
-    ReferencePlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -469,7 +461,6 @@ void testDiscrete1DFunction() {
 void testDiscrete2DFunction() {
     const int xsize = 10;
     const int ysize = 5;
-    ReferencePlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -503,7 +494,6 @@ void testDiscrete3DFunction() {
     const int xsize = 8;
     const int ysize = 5;
     const int zsize = 6;
-    ReferencePlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -540,7 +530,6 @@ void testCoulombLennardJones() {
     const int numMolecules = 300;
     const int numParticles = numMolecules*2;
     const double boxSize = 20.0;
-    ReferencePlatform platform;
 
     // Create two systems: one with a NonbondedForce, and one using a CustomNonbondedForce to implement the same interaction.
 
@@ -614,7 +603,6 @@ void testCoulombLennardJones() {
 }
 
 void testSwitchingFunction() {
-    ReferencePlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -673,7 +661,6 @@ void testLongRangeCorrection() {
     int numParticles = gridSize*gridSize*gridSize;
     double boxSize = gridSize*0.7;
     double cutoff = boxSize/3;
-    ReferencePlatform platform;
     System standardSystem;
     System customSystem;
     VerletIntegrator integrator1(0.01);
@@ -748,7 +735,6 @@ void testLongRangeCorrection() {
 
 void testInteractionGroups() {
     const int numParticles = 6;
-    ReferencePlatform platform;
     System system;
     VerletIntegrator integrator(0.01);
     CustomNonbondedForce* nonbonded = new CustomNonbondedForce("v1+v2");
@@ -790,7 +776,6 @@ void testLargeInteractionGroup() {
     
     // Create a large system.
     
-    ReferencePlatform platform;
     System system;
     system.setDefaultPeriodicBoxVectors(Vec3(boxSize, 0, 0), Vec3(0, boxSize, 0), Vec3(0, 0, boxSize));
     for (int i = 0; i < numParticles; i++)
@@ -868,7 +853,6 @@ void testInteractionGroupLongRangeCorrection() {
     const int numParticles = 10;
     const double boxSize = 10.0;
     const double cutoff = 0.5;
-    ReferencePlatform platform;
     System system;
     system.setDefaultPeriodicBoxVectors(Vec3(boxSize, 0, 0), Vec3(0, boxSize, 0), Vec3(0, 0, boxSize));
     CustomNonbondedForce* nonbonded = new CustomNonbondedForce("c1*c2*r^-4");

platforms/reference/tests/TestReferenceCustomTorsionForce.cpp

@@ -50,11 +50,11 @@
 using namespace OpenMM;
 using namespace std;
 
+ReferencePlatform platform;
+
 const double TOL = 1e-5;
 
 void testTorsions() {
-    ReferencePlatform platform;
-
     // Create a system using a CustomTorsionForce.
 
     System customSystem;
@@ -141,7 +141,6 @@ void testTorsions() {
 }
 
 void testRange() {
-    ReferencePlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);

platforms/reference/tests/TestReferenceEwald.cpp

@@ -48,6 +48,8 @@
 using namespace OpenMM;
 using namespace std;
 
+ReferencePlatform platform;
+
 const double EWALD_TOL = 1e-5;
 const double PME_TOL = 5e-5;
 
@@ -59,9 +61,7 @@ void testEwaldExact() {
     const double cutoff = 1.0;
     const double boxSize = 2.82;
 
-    ReferencePlatform platform;
     System system;
-
     for (int i = 0; i < numParticles/2; i++)
         system.addParticle(22.99);
     for (int i = 0; i < numParticles/2; i++)
@@ -112,7 +112,6 @@ void testEwaldPME() {
 //      Use amorphous NaCl system
 //      The particles are simple charges, no VdW interactions
 
-    ReferencePlatform platform;
     System system;
     for (int i = 0; i < numParticles/2; i++)
         system.addParticle(22.99);
@@ -217,7 +216,6 @@ void testEwaldPME() {
 }
 
 void testEwald2Ions() {
-    ReferencePlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -244,7 +242,6 @@ void testEwald2Ions() {
 }
 
 void testWaterSystem() {
-    ReferencePlatform platform;
     System system;
     static int numParticles = 648;
     const double boxSize = 1.86206;
@@ -305,7 +302,6 @@ void testWaterSystem() {
 void testTriclinic() {
     // Create a triclinic box containing eight particles.
 
-    ReferencePlatform platform;
     System system;
     system.setDefaultPeriodicBoxVectors(Vec3(2.5, 0, 0), Vec3(0.5, 3.0, 0), Vec3(0.7, 0.9, 3.5));
     for (int i = 0; i < 8; i++)
@@ -373,7 +369,6 @@ void testErrorTolerance(NonbondedForce::NonbondedMethod method) {
         positions[i] = Vec3(boxWidth*genrand_real2(sfmt), boxWidth*genrand_real2(sfmt), boxWidth*genrand_real2(sfmt));
     }
     force->setNonbondedMethod(method);
-    ReferencePlatform platform;
 
     // For various values of the cutoff and error tolerance, see if the actual error is reasonable.
 
@@ -425,7 +420,6 @@ void testPMEParameters() {
         positions[i] = Vec3(boxWidth*genrand_real2(sfmt), boxWidth*genrand_real2(sfmt), boxWidth*genrand_real2(sfmt));
     }
     force->setNonbondedMethod(NonbondedForce::PME);
-    ReferencePlatform platform;
     
     // Compute the energy with an error tolerance of 1e-3.
 

platforms/reference/tests/TestReferenceGBSAOBCForce.cpp

@@ -48,10 +48,11 @@
 using namespace OpenMM;
 using namespace std;
 
+ReferencePlatform platform;
+
 const double TOL = 1e-5;
 
 void testSingleParticle() {
-    ReferencePlatform platform;
     System system;
     system.addParticle(2.0);
     LangevinIntegrator integrator(0, 0.1, 0.01);
@@ -85,7 +86,6 @@ void testSingleParticle() {
 }
 
 void testGlobalSettings() {
-    ReferencePlatform platform;
     System system;
     system.addParticle(2.0);
     LangevinIntegrator integrator(0, 0.1, 0.01);
@@ -114,7 +114,6 @@ void testGlobalSettings() {
 }
 
 void testCutoffAndPeriodic() {
-    ReferencePlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -183,7 +182,6 @@ void testCutoffAndPeriodic() {
 }
 
 void testForce() {
-    ReferencePlatform platform;
     const int numParticles = 10;
     System system;
     LangevinIntegrator integrator(0, 0.1, 0.01);

platforms/reference/tests/TestReferenceGBVIForce.cpp

@@ -50,10 +50,11 @@
 using namespace OpenMM;
 using namespace std;
 
+ReferencePlatform platform;
+
 const double TOL = 1e-5;
 
 void testSingleParticle() {
-    ReferencePlatform platform;
     System system;
     system.addParticle(2.0);
     LangevinIntegrator integrator(0, 0.1, 0.01);
@@ -89,8 +90,6 @@ void testSingleParticle() {
 }
 
 void testEnergyEthane(int applyBornRadiiScaling) {
-
-    ReferencePlatform platform;
     const int numParticles = 8;
     System system;
     LangevinIntegrator integrator(0, 0.1, 0.01);

platforms/reference/tests/TestReferenceHarmonicAngleForce.cpp

@@ -46,10 +46,11 @@
 using namespace OpenMM;
 using namespace std;
 
+ReferencePlatform platform;
+
 const double TOL = 1e-5;
 
 void testAngles() {
-    ReferencePlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);

platforms/reference/tests/TestReferenceHarmonicBondForce.cpp

@@ -46,10 +46,11 @@
 using namespace OpenMM;
 using namespace std;
 
+ReferencePlatform platform;
+
 const double TOL = 1e-5;
 
 void testBonds() {
-    ReferencePlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);

platforms/reference/tests/TestReferenceKineticEnergy.cpp

@@ -44,10 +44,11 @@
 using namespace OpenMM;
 using namespace std;
 
+ReferencePlatform platform;
+
 const double TOL = 1e-5;
 
 void testCalcKE() {
-    ReferencePlatform platform;
     System system;
     for (int i = 0; i < 4; ++i)
         system.addParticle(i+1);

platforms/reference/tests/TestReferenceLangevinIntegrator.cpp

@@ -48,10 +48,11 @@
 using namespace OpenMM;
 using namespace std;
 
+ReferencePlatform platform;
+
 const double TOL = 1e-5;
 
 void testSingleBond() {
-    ReferencePlatform platform;
     System system;
     system.addParticle(2.0);
     system.addParticle(2.0);
@@ -97,7 +98,6 @@ void testSingleBond() {
 void testTemperature() {
     const int numParticles = 8;
     const double temp = 100.0;
-    ReferencePlatform platform;
     System system;
     LangevinIntegrator integrator(temp, 2.0, 0.01);
     NonbondedForce* forceField = new NonbondedForce();
@@ -132,7 +132,6 @@ void testTemperature() {
 void testConstraints() {
     const int numParticles = 8;
     const double temp = 100.0;
-    ReferencePlatform platform;
     System system;
     LangevinIntegrator integrator(temp, 2.0, 0.01);
     integrator.setConstraintTolerance(1e-5);
@@ -172,7 +171,6 @@ void testConstraints() {
 }
 
 void testConstrainedMasslessParticles() {
-    ReferencePlatform platform;
     System system;
     system.addParticle(0.0);
     system.addParticle(1.0);
@@ -207,7 +205,6 @@ void testRandomSeed() {
     const int numParticles = 8;
     const double temp = 100.0;
     const double collisionFreq = 10.0;
-    ReferencePlatform platform;
     System system;
     LangevinIntegrator integrator(temp, 2.0, 0.01);
     NonbondedForce* forceField = new NonbondedForce();

platforms/reference/tests/TestReferenceLocalEnergyMinimizer.cpp

@@ -45,6 +45,8 @@
 using namespace OpenMM;
 using namespace std;
 
+ReferencePlatform platform;
+
 void testHarmonicBonds() {
     const int numParticles = 10;
     System system;
@@ -64,7 +66,6 @@ void testHarmonicBonds() {
     // Minimize it and check that all bonds are at their equilibrium distances.
 
     VerletIntegrator integrator(0.01);
-    ReferencePlatform platform;
     Context context(system, integrator, platform);
     context.setPositions(positions);
     LocalEnergyMinimizer::minimize(context, 1e-5);
@@ -105,7 +106,6 @@ void testLargeSystem() {
 
     // Minimize it and verify that the energy has decreased.
     
-    ReferencePlatform platform;
     VerletIntegrator integrator(0.01);
     Context context(system, integrator, platform);
     context.setPositions(positions);
@@ -167,7 +167,6 @@ void testVirtualSites() {
 
     // Minimize it and verify that the energy has decreased.
     
-    ReferencePlatform platform;
     VerletIntegrator integrator(0.01);
     Context context(system, integrator, platform);
     context.setPositions(positions);

platforms/reference/tests/TestReferenceMonteCarloAnisotropicBarostat.cpp

@@ -51,6 +51,8 @@
 using namespace OpenMM;
 using namespace std;
 
+ReferencePlatform platform;
+
 void testIdealGas() {
     const int numParticles = 64;
     const int frequency = 10;
@@ -63,7 +65,6 @@ void testIdealGas() {
     
     // Create a gas of noninteracting particles.
     
-    ReferencePlatform platform;
     System system;
     system.setDefaultPeriodicBoxVectors(Vec3(initialLength, 0, 0), Vec3(0, 0.5*initialLength, 0), Vec3(0, 0, 2*initialLength));
     vector<Vec3> positions(numParticles);
@@ -124,7 +125,6 @@ void testIdealGasAxis(int axis) {
     
     // Create a gas of noninteracting particles.
     
-    ReferencePlatform platform;
     System system;
     system.setDefaultPeriodicBoxVectors(Vec3(initialLength, 0, 0), Vec3(0, 0.5*initialLength, 0), Vec3(0, 0, 2*initialLength));
     vector<Vec3> positions(numParticles);
@@ -182,7 +182,6 @@ void testRandomSeed() {
     const int numParticles = 8;
     const double temp = 100.0;
     const double pressure = 1.5;
-    ReferencePlatform platform;
     System system;
     system.setDefaultPeriodicBoxVectors(Vec3(8, 0, 0), Vec3(0, 8, 0), Vec3(0, 0, 8));
     VerletIntegrator integrator(0.01);
@@ -255,7 +254,6 @@ void testTriclinic() {
 
     // Create a gas of noninteracting particles.
 
-    ReferencePlatform platform;
     System system;
     Vec3 initialBox[3];
     initialBox[0] = Vec3(initialLength, 0, 0);
@@ -347,7 +345,6 @@ void testEinsteinCrystal() {
     const double pres3[] = {2.0, 8.0, 15.0};
     const double initialVolume = numParticles*BOLTZ*temp/pressureInMD;
     const double initialLength = std::pow(initialVolume, 1.0/3.0);
-    ReferencePlatform platform;
     vector<double> initialPositions(3);
     vector<double> results;
     // Run four groups of anisotropic simulations; scaling just x, y, z, then all three.

platforms/reference/tests/TestReferenceMonteCarloBarostat.cpp

@@ -49,8 +49,9 @@
 using namespace OpenMM;
 using namespace std;
 
+ReferencePlatform platform;
+
 void testChangingBoxSize() {
-    ReferencePlatform platform;
     System system;
     system.setDefaultPeriodicBoxVectors(Vec3(4, 0, 0), Vec3(0, 5, 0), Vec3(0, 0, 6));
     system.addParticle(1.0);
@@ -100,7 +101,6 @@ void testIdealGas() {
 
     // Create a gas of noninteracting particles.
 
-    ReferencePlatform platform;
     System system;
     system.setDefaultPeriodicBoxVectors(Vec3(initialLength, 0, 0), Vec3(0, 0.5*initialLength, 0), Vec3(0, 0, 2*initialLength));
     vector<Vec3> positions(numParticles);
@@ -148,7 +148,6 @@ void testRandomSeed() {
     const int numParticles = 8;
     const double temp = 100.0;
     const double pressure = 1.5;
-    ReferencePlatform platform;
     System system;
     system.setDefaultPeriodicBoxVectors(Vec3(8, 0, 0), Vec3(0, 8, 0), Vec3(0, 0, 8));
     VerletIntegrator integrator(0.01);

platforms/reference/tests/TestReferenceMonteCarloMembraneBarostat.cpp

@@ -49,6 +49,8 @@
 using namespace OpenMM;
 using namespace std;
 
+ReferencePlatform platform;
+
 void testIdealGas(MonteCarloMembraneBarostat::XYMode xymode, MonteCarloMembraneBarostat::ZMode zmode) {
     const int numParticles = 64;
     const int frequency = 1;
@@ -63,7 +65,6 @@ void testIdealGas(MonteCarloMembraneBarostat::XYMode xymode, MonteCarloMembraneB
 
     // Create a gas of noninteracting particles.
 
-    ReferencePlatform platform;
     System system;
     system.setDefaultPeriodicBoxVectors(Vec3(initialLength, 0, 0), Vec3(0, 0.5*initialLength, 0), Vec3(0, 0, 2*initialLength));
     vector<Vec3> positions(numParticles);
@@ -121,7 +122,6 @@ void testRandomSeed() {
     const double temp = 100.0;
     const double pressure = 1.5;
     const double tension = 0.3;
-    ReferencePlatform platform;
     System system;
     system.setDefaultPeriodicBoxVectors(Vec3(8, 0, 0), Vec3(0, 8, 0), Vec3(0, 0, 8));
     VerletIntegrator integrator(0.01);

platforms/reference/tests/TestReferenceNonbondedForce.cpp

@@ -48,10 +48,11 @@
 using namespace OpenMM;
 using namespace std;
 
+ReferencePlatform platform;
+
 const double TOL = 1e-5;
 
 void testCoulomb() {
-    ReferencePlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -76,7 +77,6 @@ void testCoulomb() {
 }
 
 void testLJ() {
-    ReferencePlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -103,7 +103,6 @@ void testLJ() {
 }
 
 void testExclusionsAnd14() {
-    ReferencePlatform platform;
     System system;
     VerletIntegrator integrator(0.01);
     NonbondedForce* nonbonded = new NonbondedForce();
@@ -190,7 +189,6 @@ void testExclusionsAnd14() {
 }
 
 void testCutoff() {
-    ReferencePlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -229,7 +227,6 @@ void testCutoff() {
 }
 
 void testCutoff14() {
-    ReferencePlatform platform;
     System system;
     VerletIntegrator integrator(0.01);
     NonbondedForce* nonbonded = new NonbondedForce();
@@ -326,7 +323,6 @@ void testCutoff14() {
 }
 
 void testPeriodic() {
-    ReferencePlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -363,7 +359,6 @@ void testPeriodic() {
 }
 
 void testTriclinic() {
-    ReferencePlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -432,7 +427,6 @@ void testDispersionCorrection() {
     int numParticles = gridSize*gridSize*gridSize;
     double boxSize = gridSize*0.7;
     double cutoff = boxSize/3;
-    ReferencePlatform platform;
     System system;
     VerletIntegrator integrator(0.01);
     NonbondedForce* nonbonded = new NonbondedForce();
@@ -496,7 +490,6 @@ void testDispersionCorrection() {
 }
 
 void testSwitchingFunction(NonbondedForce::NonbondedMethod method) {
-    ReferencePlatform platform;
     System system;
     system.setDefaultPeriodicBoxVectors(Vec3(6, 0, 0), Vec3(0, 6, 0), Vec3(0, 0, 6));
     system.addParticle(1.0);

platforms/reference/tests/TestReferencePeriodicTorsionForce.cpp

@@ -46,10 +46,11 @@
 using namespace OpenMM;
 using namespace std;
 
+ReferencePlatform platform;
+
 const double TOL = 1e-5;
 
 void testPeriodicTorsions() {
-    ReferencePlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);

platforms/reference/tests/TestReferenceRBTorsionForce.cpp

@@ -46,10 +46,11 @@
 using namespace OpenMM;
 using namespace std;
 
+ReferencePlatform platform;
+
 const double TOL = 1e-5;
 
 void testRBTorsions() {
-    ReferencePlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);

platforms/reference/tests/TestReferenceRandom.cpp

@@ -43,6 +43,8 @@
 using namespace OpenMM;
 using namespace std;
 
+ReferencePlatform platform;
+
 void testGaussian() {
     const int numValues = 10000000;
     double mean = 0.0;
@@ -74,7 +76,6 @@ void testRandomVelocities() {
     
     const int numParticles = 10000;
     const double temperture = 100.0;
-    ReferencePlatform platform;
     System system;
     VerletIntegrator integrator(0.01);
     for (int i = 0; i < numParticles; ++i)

platforms/reference/tests/TestReferenceSettle.cpp

@@ -47,12 +47,13 @@
 using namespace OpenMM;
 using namespace std;
 
+ReferencePlatform platform;
+
 void testConstraints() {
     const int numMolecules = 10;
     const int numParticles = numMolecules*3;
     const int numConstraints = numMolecules*3;
     const double temp = 100.0;
-    ReferencePlatform platform;
     System system;
     LangevinIntegrator integrator(temp, 2.0, 0.001);
     integrator.setConstraintTolerance(1e-5);

platforms/reference/tests/TestReferenceVariableLangevinIntegrator.cpp

@@ -48,10 +48,11 @@
 using namespace OpenMM;
 using namespace std;
 
+ReferencePlatform platform;
+
 const double TOL = 1e-5;
 
 void testSingleBond() {
-    ReferencePlatform platform;
     System system;
     system.addParticle(2.0);
     system.addParticle(2.0);
@@ -97,7 +98,6 @@ void testSingleBond() {
 void testTemperature() {
     const int numParticles = 8;
     const double temp = 100.0;
-    ReferencePlatform platform;
     System system;
     VariableLangevinIntegrator integrator(temp, 5.0, 5e-5);
     NonbondedForce* forceField = new NonbondedForce();
@@ -133,7 +133,6 @@ void testTemperature() {
 void testConstraints() {
     const int numParticles = 8;
     const double temp = 100.0;
-    ReferencePlatform platform;
     System system;
     VariableLangevinIntegrator integrator(temp, 2.0, 1e-5);
     integrator.setConstraintTolerance(1e-5);
@@ -174,7 +173,6 @@ void testConstraints() {
 }
 
 void testConstrainedMasslessParticles() {
-    ReferencePlatform platform;
     System system;
     system.addParticle(0.0);
     system.addParticle(1.0);
@@ -208,7 +206,6 @@ void testConstrainedMasslessParticles() {
 void testRandomSeed() {
     const int numParticles = 8;
     const double temp = 100.0;
-    ReferencePlatform platform;
     System system;
     VariableLangevinIntegrator integrator(temp, 2.0, 1e-5);
     NonbondedForce* forceField = new NonbondedForce();
@@ -276,7 +273,6 @@ void testArgonBox() {
 
     // Create a box of argon atoms.
     
-    ReferencePlatform platform;
     System system;
     NonbondedForce* nonbonded = new NonbondedForce();
     vector<Vec3> positions;