OpenCL and CUDA tests are run three times, once for each precision model

platforms/opencl/tests/TestOpenCLCustomBondForce.cpp

@@ -46,10 +46,11 @@
 using namespace OpenMM;
 using namespace std;
 
+OpenCLPlatform platform;
+
 const double TOL = 1e-5;
 
 void testBonds() {
-    OpenCLPlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -102,7 +103,6 @@ void testBonds() {
 }
 
 void testManyParameters() {
-    OpenCLPlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -136,7 +136,6 @@ void testManyParameters() {
 }
 
 void testParallelComputation() {
-    OpenCLPlatform platform;
     System system;
     const int numParticles = 200;
     for (int i = 0; i < numParticles; i++)
@@ -165,8 +164,10 @@ void testParallelComputation() {
         ASSERT_EQUAL_VEC(state1.getForces()[i], state2.getForces()[i], 1e-5);
 }
 
-int main() {
+int main(int argc, char* argv[]) {
     try {
+        if (argc > 1)
+            platform.setPropertyDefaultValue("OpenCLPrecision", string(argv[1]));
         testBonds();
         testManyParameters();
         testParallelComputation();

platforms/opencl/tests/TestOpenCLCustomCompoundBondForce.cpp

@@ -49,11 +49,11 @@
 using namespace OpenMM;
 using namespace std;
 
+OpenCLPlatform platform;
+
 const double TOL = 1e-5;
 
 void testBond() {
-    OpenCLPlatform platform;
-
     // Create a system using a CustomCompoundBondForce.
 
     System customSystem;
@@ -142,7 +142,6 @@ void testBond() {
 }
 
 void testPositionDependence() {
-    OpenCLPlatform platform;
     System customSystem;
     customSystem.addParticle(1.0);
     customSystem.addParticle(1.0);
@@ -168,7 +167,6 @@ void testPositionDependence() {
 }
 
 void testParallelComputation() {
-    OpenCLPlatform platform;
     System system;
     const int numParticles = 200;
     for (int i = 0; i < numParticles; i++)
@@ -201,8 +199,10 @@ void testParallelComputation() {
         ASSERT_EQUAL_VEC(state1.getForces()[i], state2.getForces()[i], 1e-5);
 }
 
-int main() {
+int main(int argc, char* argv[]) {
     try {
+        if (argc > 1)
+            platform.setPropertyDefaultValue("OpenCLPrecision", string(argv[1]));
         testBond();
         testPositionDependence();
         testParallelComputation();

platforms/opencl/tests/TestOpenCLCustomExternalForce.cpp

@@ -47,10 +47,11 @@
 using namespace OpenMM;
 using namespace std;
 
+OpenCLPlatform platform;
+
 const double TOL = 1e-5;
 
 void testForce() {
-    OpenCLPlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -100,7 +101,6 @@ void testForce() {
 }
 
 void testManyParameters() {
-    OpenCLPlatform platform;
     System system;
     system.addParticle(1.0);
     VerletIntegrator integrator(0.01);
@@ -131,7 +131,6 @@ void testManyParameters() {
 }
 
 void testParallelComputation() {
-    OpenCLPlatform platform;
     System system;
     const int numParticles = 200;
     for (int i = 0; i < numParticles; i++)
@@ -162,8 +161,10 @@ void testParallelComputation() {
         ASSERT_EQUAL_VEC(state1.getForces()[i], state2.getForces()[i], 1e-5);
 }
 
-int main() {
+int main(int argc, char* argv[]) {
     try {
+        if (argc > 1)
+            platform.setPropertyDefaultValue("OpenCLPrecision", string(argv[1]));
         testForce();
         testManyParameters();
         testParallelComputation();

platforms/opencl/tests/TestOpenCLCustomGBForce.cpp

@@ -48,13 +48,14 @@
 using namespace OpenMM;
 using namespace std;
 
+OpenCLPlatform platform;
+
 const double TOL = 1e-5;
 
 void testOBC(GBSAOBCForce::NonbondedMethod obcMethod, CustomGBForce::NonbondedMethod customMethod) {
     const int numMolecules = 70;
     const int numParticles = numMolecules*2;
     const double boxSize = 10.0;
-    OpenCLPlatform platform;
 
     // Create two systems: one with a GBSAOBCForce, and one using a CustomGBForce to implement the same interaction.
 
@@ -168,7 +169,6 @@ void testMembrane() {
     const int numMolecules = 70;
     const int numParticles = numMolecules*2;
     const double boxSize = 10.0;
-    OpenCLPlatform platform;
 
     // Create a system with an implicit membrane.
 
@@ -254,7 +254,6 @@ void testMembrane() {
 }
 
 void testTabulatedFunction() {
-    OpenCLPlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -295,7 +294,6 @@ void testTabulatedFunction() {
 }
 
 void testMultipleChainRules() {
-    OpenCLPlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -323,7 +321,6 @@ void testMultipleChainRules() {
 }
 
 void testPositionDependence() {
-    OpenCLPlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -383,7 +380,6 @@ void testPositionDependence() {
 }
 
 void testExclusions() {
-    OpenCLPlatform platform;
     for (int i = 0; i < 4; i++) {
         System system;
         system.addParticle(1.0);
@@ -449,8 +445,10 @@ void testExclusions() {
     }
 }
 
-int main() {
+int main(int argc, char* argv[]) {
     try {
+        if (argc > 1)
+            platform.setPropertyDefaultValue("OpenCLPrecision", string(argv[1]));
         testOBC(GBSAOBCForce::NoCutoff, CustomGBForce::NoCutoff);
         testOBC(GBSAOBCForce::CutoffNonPeriodic, CustomGBForce::CutoffNonPeriodic);
         testOBC(GBSAOBCForce::CutoffPeriodic, CustomGBForce::CutoffPeriodic);

platforms/opencl/tests/TestOpenCLCustomHbondForce.cpp

@@ -49,11 +49,11 @@
 using namespace OpenMM;
 using namespace std;
 
+OpenCLPlatform platform;
+
 const double TOL = 1e-5;
 
 void testHbond() {
-    OpenCLPlatform platform;
-
     // Create a system using a CustomHbondForce.
 
     System customSystem;
@@ -149,7 +149,6 @@ void testHbond() {
 }
 
 void testExclusions() {
-    OpenCLPlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -176,7 +175,6 @@ void testExclusions() {
 }
 
 void testCutoff() {
-    OpenCLPlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -204,7 +202,6 @@ void testCutoff() {
 }
 
 void testCustomFunctions() {
-    OpenCLPlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -233,8 +230,10 @@ void testCustomFunctions() {
     ASSERT_EQUAL_TOL(0.1*2+0.1*2, state.getPotentialEnergy(), TOL);
 }
 
-int main() {
+int main(int argc, char* argv[]) {
     try {
+        if (argc > 1)
+            platform.setPropertyDefaultValue("OpenCLPrecision", string(argv[1]));
         testHbond();
         testExclusions();
         testCutoff();

platforms/opencl/tests/TestOpenCLCustomIntegrator.cpp

@@ -49,13 +49,14 @@
 using namespace OpenMM;
 using namespace std;
 
+OpenCLPlatform platform;
+
 const double TOL = 1e-5;
 
 /**
  * Test a simple leapfrog integrator on a single bond.
  */
 void testSingleBond() {
-    OpenCLPlatform platform;
     System system;
     system.addParticle(2.0);
     system.addParticle(2.0);
@@ -100,8 +101,6 @@ void testSingleBond() {
  */
 void testConstraints() {
     const int numParticles = 8;
-    const double temp = 500.0;
-    OpenCLPlatform platform;
     System system;
     CustomIntegrator integrator(0.002);
     integrator.addPerDofVariable("oldx", 0);
@@ -160,7 +159,6 @@ void testConstraints() {
  */
 void testVelocityConstraints() {
     const int numParticles = 10;
-    OpenCLPlatform platform;
     System system;
     CustomIntegrator integrator(0.002);
     integrator.addPerDofVariable("x1", 0);
@@ -244,7 +242,6 @@ void testWithThermostat() {
     const double temp = 100.0;
     const double collisionFreq = 10.0;
     const int numSteps = 10000;
-    OpenCLPlatform platform;
     System system;
     CustomIntegrator integrator(0.005);
     integrator.addUpdateContextState();
@@ -285,7 +282,6 @@ void testWithThermostat() {
  * Test a Monte Carlo integrator that uses global variables and depends on energy.
  */
 void testMonteCarlo() {
-    OpenCLPlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -340,7 +336,6 @@ void testMonteCarlo() {
 void testSum() {
     const int numParticles = 200;
     const double boxSize = 10;
-    OpenCLPlatform platform;
     System system;
     system.setDefaultPeriodicBoxVectors(Vec3(boxSize, 0, 0), Vec3(0, boxSize, 0), Vec3(0, 0, boxSize));
     NonbondedForce* nb = new NonbondedForce();
@@ -385,7 +380,6 @@ void testSum() {
  * Test an integrator that both uses and modifies a context parameter.
  */
 void testParameter() {
-    OpenCLPlatform platform;
     System system;
     system.addParticle(1.0);
     AndersenThermostat* thermostat = new AndersenThermostat(0.1, 0.1);
@@ -411,7 +405,6 @@ void testRandomDistributions() {
     const int numParticles = 100;
     const int numBins = 20;
     const int numSteps = 100;
-    OpenCLPlatform platform;
     System system;
     for (int i = 0; i < numParticles; i++)
         system.addParticle(1.0);
@@ -479,7 +472,6 @@ void testRandomDistributions() {
 void testPerDofVariables() {
     const int numParticles = 200;
     const double boxSize = 10;
-    OpenCLPlatform platform;
     System system;
     system.setDefaultPeriodicBoxVectors(Vec3(boxSize, 0, 0), Vec3(0, boxSize, 0), Vec3(0, 0, boxSize));
     NonbondedForce* nb = new NonbondedForce();
@@ -535,7 +527,6 @@ void testPerDofVariables() {
  * Test evaluating force groups separately.
  */
 void testForceGroups() {
-    OpenCLPlatform platform;
     System system;
     system.addParticle(2.0);
     system.addParticle(2.0);
@@ -611,7 +602,6 @@ void testForceGroups() {
  */
 void testRespa() {
     const int numParticles = 8;
-    OpenCLPlatform platform;
     System system;
     system.setDefaultPeriodicBoxVectors(Vec3(4, 0, 0), Vec3(0, 4, 0), Vec3(0, 0, 4));
     CustomIntegrator integrator(0.002);
@@ -662,8 +652,10 @@ void testRespa() {
     }
 }
 
-int main() {
+int main(int argc, char* argv[]) {
     try {
+        if (argc > 1)
+            platform.setPropertyDefaultValue("OpenCLPrecision", string(argv[1]));
         testSingleBond();
         testConstraints();
         testVelocityConstraints();

platforms/opencl/tests/TestOpenCLCustomNonbondedForce.cpp

@@ -48,10 +48,11 @@
 using namespace OpenMM;
 using namespace std;
 
+OpenCLPlatform platform;
+
 const double TOL = 1e-5;
 
 void testSimpleExpression() {
-    OpenCLPlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -74,7 +75,6 @@ void testSimpleExpression() {
 }
 
 void testParameters() {
-    OpenCLPlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -135,7 +135,6 @@ void testParameters() {
 }
 
 void testManyParameters() {
-    OpenCLPlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -174,7 +173,6 @@ void testManyParameters() {
 }
 
 void testExclusions() {
-    OpenCLPlatform platform;
     System system;
     VerletIntegrator integrator(0.01);
     CustomNonbondedForce* nonbonded = new CustomNonbondedForce("a*r; a=a1+a2");
@@ -205,7 +203,6 @@ void testExclusions() {
 }
 
 void testCutoff() {
-    OpenCLPlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -233,7 +230,6 @@ void testCutoff() {
 }
 
 void testPeriodic() {
-    OpenCLPlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -262,7 +258,6 @@ void testPeriodic() {
 }
 
 void testTabulatedFunction() {
-    OpenCLPlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -305,7 +300,6 @@ void testCoulombLennardJones() {
     const int numMolecules = 300;
     const int numParticles = numMolecules*2;
     const double boxSize = 20.0;
-    OpenCLPlatform platform;
 
     // Create two systems: one with a NonbondedForce, and one using a CustomNonbondedForce to implement the same interaction.
 
@@ -377,7 +371,6 @@ void testCoulombLennardJones() {
 }
 
 void testParallelComputation() {
-    OpenCLPlatform platform;
     System system;
     const int numParticles = 200;
     for (int i = 0; i < numParticles; i++)
@@ -414,8 +407,10 @@ void testParallelComputation() {
         ASSERT_EQUAL_VEC(state1.getForces()[i], state2.getForces()[i], 1e-5);
 }
 
-int main() {
+int main(int argc, char* argv[]) {
     try {
+        if (argc > 1)
+            platform.setPropertyDefaultValue("OpenCLPrecision", string(argv[1]));
         testSimpleExpression();
         testParameters();
         testManyParameters();

platforms/opencl/tests/TestOpenCLCustomTorsionForce.cpp

@@ -50,11 +50,11 @@
 using namespace OpenMM;
 using namespace std;
 
+OpenCLPlatform platform;
+
 const double TOL = 1e-5;
 
 void testTorsions() {
-    OpenCLPlatform platform;
-
     // Create a system using a CustomTorsionForce.
 
     System customSystem;
@@ -139,7 +139,6 @@ void testTorsions() {
 }
 
 void testRange() {
-    OpenCLPlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -173,7 +172,6 @@ void testRange() {
 }
 
 void testParallelComputation() {
-    OpenCLPlatform platform;
     System system;
     const int numParticles = 200;
     for (int i = 0; i < numParticles; i++)
@@ -202,8 +200,10 @@ void testParallelComputation() {
         ASSERT_EQUAL_VEC(state1.getForces()[i], state2.getForces()[i], 1e-5);
 }
 
-int main() {
+int main(int argc, char* argv[]) {
     try {
+        if (argc > 1)
+            platform.setPropertyDefaultValue("OpenCLPrecision", string(argv[1]));
         testTorsions();
         testRange();
         testParallelComputation();

platforms/opencl/tests/TestOpenCLEwald.cpp

@@ -50,6 +50,8 @@
 using namespace OpenMM;
 using namespace std;
 
+OpenCLPlatform platform;
+
 const double TOL = 1e-5;
 
 void testEwaldPME(bool includeExceptions) {
@@ -61,7 +63,6 @@ void testEwaldPME(bool includeExceptions) {
     const double boxSize 	= 3.00646;
     double tol 				= 1e-5;
 
-    OpenCLPlatform cl;
     ReferencePlatform reference;
     System system;
     NonbondedForce* nonbonded = new NonbondedForce();
@@ -96,7 +97,7 @@ void testEwaldPME(bool includeExceptions) {
 
     VerletIntegrator integrator1(0.01);
     VerletIntegrator integrator2(0.01);
-    Context clContext(system, integrator1, cl);
+    Context clContext(system, integrator1, platform);
     Context referenceContext(system, integrator2, reference);
     clContext.setPositions(positions);
     referenceContext.setPositions(positions);
@@ -126,7 +127,7 @@ void testEwaldPME(bool includeExceptions) {
         positions[i] = Vec3(p[0]-f[0]*step, p[1]-f[1]*step, p[2]-f[2]*step);
     }
     VerletIntegrator integrator3(0.01);
-    Context clContext2(system, integrator3, cl);
+    Context clContext2(system, integrator3, platform);
     clContext2.setPositions(positions);
 
     tol = 1e-2;
@@ -165,7 +166,7 @@ void testEwaldPME(bool includeExceptions) {
         positions[i] = Vec3(p[0]-f[0]*step, p[1]-f[1]*step, p[2]-f[2]*step);
     }
     VerletIntegrator integrator4(0.01);
-    Context clContext3(system, integrator4, cl);
+    Context clContext3(system, integrator4, platform);
     clContext3.setPositions(positions);
 
     tol = 1e-2;
@@ -174,7 +175,6 @@ void testEwaldPME(bool includeExceptions) {
 }
 
 void testEwald2Ions() {
-    OpenCLPlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -220,7 +220,6 @@ void testErrorTolerance(NonbondedForce::NonbondedMethod method) {
         positions[i] = Vec3(boxWidth*genrand_real2(sfmt), boxWidth*genrand_real2(sfmt), boxWidth*genrand_real2(sfmt));
     }
     force->setNonbondedMethod(method);
-    OpenCLPlatform platform;
 
     // For various values of the cutoff and error tolerance, see if the actual error is reasonable.
 
@@ -253,13 +252,15 @@ void testErrorTolerance(NonbondedForce::NonbondedMethod method) {
     }
 }
 
-int main() {
+int main(int argc, char* argv[]) {
     try {
-     testEwaldPME(false);
-     testEwaldPME(true);
-//     testEwald2Ions();
-     testErrorTolerance(NonbondedForce::Ewald);
-     testErrorTolerance(NonbondedForce::PME);
+        if (argc > 1)
+            platform.setPropertyDefaultValue("OpenCLPrecision", string(argv[1]));
+        testEwaldPME(false);
+        testEwaldPME(true);
+//        testEwald2Ions();
+        testErrorTolerance(NonbondedForce::Ewald);
+        testErrorTolerance(NonbondedForce::PME);
     }
     catch(const exception& e) {
         cout << "exception: " << e.what() << endl;

platforms/opencl/tests/TestOpenCLFFT.cpp

@@ -48,31 +48,34 @@
 using namespace OpenMM;
 using namespace std;
 
+OpenCLPlatform platform;
+
+template <class Real2>
 void testTransform() {
     System system;
     system.addParticle(0.0);
-    OpenCLPlatform::PlatformData platformData(system, "", "", "single");
+    OpenCLPlatform::PlatformData platformData(system, "", "", platform.getPropertyDefaultValue("OpenCLPrecision"));
     OpenCLContext& context = *platformData.contexts[0];
     context.initialize();
     OpenMM_SFMT::SFMT sfmt;
     init_gen_rand(0, sfmt);
     int xsize = 32, ysize = 25, zsize = 30;
-    vector<mm_float2> original(xsize*ysize*zsize);
+    vector<Real2> original(xsize*ysize*zsize);
     vector<t_complex> reference(original.size());
     for (int i = 0; i < (int) original.size(); i++) {
-        mm_float2 value = mm_float2((cl_float) genrand_real2(sfmt), (cl_float) genrand_real2(sfmt));
+        Real2 value = Real2((cl_float) genrand_real2(sfmt), (cl_float) genrand_real2(sfmt));
         original[i] = value;
         reference[i] = t_complex(value.x, value.y);
     }
-    OpenCLArray grid1(context, original.size(), sizeof(mm_float2), "grid1");
-    OpenCLArray grid2(context, original.size(), sizeof(mm_float2), "grid2");
+    OpenCLArray grid1(context, original.size(), sizeof(Real2), "grid1");
+    OpenCLArray grid2(context, original.size(), sizeof(Real2), "grid2");
     grid1.upload(original);
     OpenCLFFT3D fft(context, xsize, ysize, zsize);
 
     // Perform a forward FFT, then verify the result is correct.
 
     fft.execFFT(grid1, grid2, true);
-    vector<mm_float2> result;
+    vector<Real2> result;
     grid2.download(result);
     fftpack_t plan;
     fftpack_init_3d(&plan, xsize, ysize, zsize);
@@ -94,9 +97,14 @@ void testTransform() {
     }
 }
 
-int main() {
+int main(int argc, char* argv[]) {
     try {
-        testTransform();
+        if (argc > 1)
+            platform.setPropertyDefaultValue("OpenCLPrecision", string(argv[1]));
+        if (platform.getPropertyDefaultValue("OpenCLPrecision") == "double")
+            testTransform<mm_double2>();
+        else
+            testTransform<mm_float2>();
     }
     catch(const exception& e) {
         cout << "exception: " << e.what() << endl;

platforms/opencl/tests/TestOpenCLGBSAOBCForce.cpp

@@ -49,10 +49,11 @@
 using namespace OpenMM;
 using namespace std;
 
+OpenCLPlatform platform;
+
 const double TOL = 1e-5;
 
 void testSingleParticle() {
-    OpenCLPlatform platform;
     System system;
     system.addParticle(2.0);
     LangevinIntegrator integrator(0, 0.1, 0.01);
@@ -87,7 +88,6 @@ void testSingleParticle() {
 }
 
 void testCutoffAndPeriodic() {
-    OpenCLPlatform cl;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -113,7 +113,7 @@ void testCutoffAndPeriodic() {
 
     nonbonded->setNonbondedMethod(NonbondedForce::CutoffNonPeriodic);
     gbsa->setNonbondedMethod(GBSAOBCForce::CutoffNonPeriodic);
-    Context context(system, integrator, cl);
+    Context context(system, integrator, platform);
     context.setPositions(positions);
     State state1 = context.getState(State::Forces);
     nonbonded->setNonbondedMethod(NonbondedForce::CutoffPeriodic);
@@ -144,7 +144,6 @@ void testCutoffAndPeriodic() {
 }
 
 void testForce(int numParticles, NonbondedForce::NonbondedMethod method, GBSAOBCForce::NonbondedMethod method2) {
-    OpenCLPlatform cl;
     ReferencePlatform reference;
     System system;
     GBSAOBCForce* gbsa = new GBSAOBCForce();
@@ -168,7 +167,7 @@ void testForce(int numParticles, NonbondedForce::NonbondedMethod method, GBSAOBC
     system.addForce(nonbonded);
     LangevinIntegrator integrator1(0, 0.1, 0.01);
     LangevinIntegrator integrator2(0, 0.1, 0.01);
-    Context context(system, integrator1, cl);
+    Context context(system, integrator1, platform);
     Context refContext(system, integrator2, reference);
 
     // Set random (but uniformly distributed) positions for all the particles.

platforms/opencl/tests/TestOpenCLGBSAOBCForce2.cpp

@@ -30,7 +30,7 @@
  * -------------------------------------------------------------------------- */
 
 /**
- * This tests the Cuda implementations of GBVIForce, GBSAOBCForce and the softcore versions of
+ * This tests the OpenCL implementations of GBVIForce, GBSAOBCForce and the softcore versions of
  * these forces.
  */
 
@@ -2850,7 +2850,7 @@ static int checkRequiredLibsAreAvailable( const StringVector& requiredLibs, cons
  
 void runSystemComparisonTest( System& system1, System& system2, 
                               const std::vector<Vec3>& positions, MapStringToDouble& inputArgumentMap,
-                              const std::string& idString, FILE* log ){
+                              const std::string& idString, const std::string& precision, FILE* log ){
 
     int applyAssert                      = 0;
     int platformId1                      = 0;
@@ -2914,9 +2914,11 @@ void runSystemComparisonTest( System& system1, System& system2,
 #if TEST_PLATFORM == TEST_OPENCL_PLATFORM
     ReferencePlatform platform1;   
     OpenCLPlatform platform2;
+    platform2.setPropertyDefaultValue("OpenCLPrecision", precision);
 #elif TEST_PLATFORM == TEST_CUDA_PLATFORM
     ReferencePlatform platform1;   
     CudaPlatform platform2;
+    platform2.setPropertyDefaultValue("CudaPrecision", precision);
 #else
     Platform& platform1 = Platform::getPlatformByName( platformName1 );
     if( deviceId1 ){
@@ -3059,7 +3061,7 @@ void serializeSystemAndPositions( System& system, const std::vector<Vec3>& posit
     return;
 }
 
-void runTests( MapStringToDouble& inputArgumentMap, FILE* log ){
+void runTests( MapStringToDouble& inputArgumentMap, const std::string& precision, FILE* log ){
 
     double lambda1                       = 1.0;
     double lambda2                       = 1.0;
@@ -3327,12 +3329,18 @@ void runTests( MapStringToDouble& inputArgumentMap, FILE* log ){
 
     std::stringstream idString;
     idString << "Nb " << nonbondedMethod << " l2 " << std::fixed << setprecision(2) << lambda2;
-    runSystemComparisonTest( standardSystem, systemCopy, positions, inputArgumentMap, idString.str(), log );
+    runSystemComparisonTest( standardSystem, systemCopy, positions, inputArgumentMap, idString.str(), precision, log );
 
 }
 
-int main() {
+int main(int argc, char* argv[]) {
 
+    std::string precision;
+    if (argc > 1)
+        precision = std::string(argv[1]);
+    else
+        precision = "single";
+    
     try {
 
 #ifdef USE_SOFTCORE
@@ -3503,7 +3511,7 @@ int main() {
             int wasException = 0;
             for( unsigned int kk = 0; kk < vectorOfMapStringToDouble.size() && wasException < 3; kk++ ){
                 try {
-                    runTests( vectorOfMapStringToDouble[kk], log );
+                    runTests( vectorOfMapStringToDouble[kk], precision, log );
                 } catch(const exception& e) {
                     std::stringstream msg;
 #if IMPLICIT_SOLVENT == TEST_NONBONDED

platforms/opencl/tests/TestOpenCLHarmonicAngleForce.cpp

@@ -47,10 +47,11 @@
 using namespace OpenMM;
 using namespace std;
 
+OpenCLPlatform platform;
+
 const double TOL = 1e-5;
 
 void testAngles() {
-    OpenCLPlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -99,7 +100,6 @@ void testAngles() {
 }
 
 void testParallelComputation() {
-    OpenCLPlatform platform;
     System system;
     const int numParticles = 200;
     for (int i = 0; i < numParticles; i++)
@@ -127,8 +127,10 @@ void testParallelComputation() {
         ASSERT_EQUAL_VEC(state1.getForces()[i], state2.getForces()[i], 1e-5);
 }
 
-int main() {
+int main(int argc, char* argv[]) {
     try {
+        if (argc > 1)
+            platform.setPropertyDefaultValue("OpenCLPrecision", string(argv[1]));
         testAngles();
         testParallelComputation();
     }

platforms/opencl/tests/TestOpenCLHarmonicBondForce.cpp

@@ -46,10 +46,11 @@
 using namespace OpenMM;
 using namespace std;
 
+OpenCLPlatform platform;
+
 const double TOL = 1e-5;
 
 void testBonds() {
-    OpenCLPlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -90,7 +91,6 @@ void testBonds() {
 }
 
 void testParallelComputation() {
-    OpenCLPlatform platform;
     System system;
     const int numParticles = 200;
     for (int i = 0; i < numParticles; i++)
@@ -118,8 +118,10 @@ void testParallelComputation() {
         ASSERT_EQUAL_VEC(state1.getForces()[i], state2.getForces()[i], 1e-5);
 }
 
-int main() {
+int main(int argc, char* argv[]) {
     try {
+        if (argc > 1)
+            platform.setPropertyDefaultValue("OpenCLPrecision", string(argv[1]));
         testBonds();
         testParallelComputation();
     }

platforms/opencl/tests/TestOpenCLLangevinIntegrator.cpp

@@ -48,10 +48,11 @@
 using namespace OpenMM;
 using namespace std;
 
+OpenCLPlatform platform;
+
 const double TOL = 1e-5;
 
 void testSingleBond() {
-    OpenCLPlatform 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;
-    OpenCLPlatform platform;
     System system;
     LangevinIntegrator integrator(temp, 2.0, 0.01);
     NonbondedForce* forceField = new NonbondedForce();
@@ -133,7 +133,6 @@ void testConstraints() {
     const int numParticles = 8;
     const int numConstraints = 5;
     const double temp = 100.0;
-    OpenCLPlatform platform;
     System system;
     LangevinIntegrator integrator(temp, 2.0, 0.01);
     integrator.setConstraintTolerance(1e-5);
@@ -181,8 +180,6 @@ void testConstraints() {
 void testRandomSeed() {
     const int numParticles = 8;
     const double temp = 100.0;
-    const double collisionFreq = 10.0;
-    OpenCLPlatform platform;
     System system;
     LangevinIntegrator integrator(temp, 2.0, 0.01);
     NonbondedForce* forceField = new NonbondedForce();
@@ -237,8 +234,10 @@ void testRandomSeed() {
     }
 }
 
-int main() {
+int main(int argc, char* argv[]) {
     try {
+        if (argc > 1)
+            platform.setPropertyDefaultValue("OpenCLPrecision", string(argv[1]));
         testSingleBond();
         testTemperature();
         testConstraints();

platforms/opencl/tests/TestOpenCLLocalEnergyMinimizer.cpp

@@ -45,6 +45,8 @@
 using namespace OpenMM;
 using namespace std;
 
+OpenCLPlatform 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);
-    OpenCLPlatform 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.
 
-    OpenCLPlatform 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.
     
-    OpenCLPlatform platform;
     VerletIntegrator integrator(0.01);
     Context context(system, integrator, platform);
     context.setPositions(positions);
@@ -199,8 +198,10 @@ void testVirtualSites() {
     ASSERT(forceNorm < 3*tolerance);
 }
 
-int main() {
+int main(int argc, char* argv[]) {
     try {
+        if (argc > 1)
+            platform.setPropertyDefaultValue("OpenCLPrecision", string(argv[1]));
         testHarmonicBonds();
         testLargeSystem();
         testVirtualSites();

platforms/opencl/tests/TestOpenCLMonteCarloBarostat.cpp

@@ -49,8 +49,9 @@
 using namespace OpenMM;
 using namespace std;
 
+OpenCLPlatform platform;
+
 void testChangingBoxSize() {
-    OpenCLPlatform 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.
 
-    OpenCLPlatform platform;
     System system;
     system.setDefaultPeriodicBoxVectors(Vec3(initialLength, 0, 0), Vec3(0, 0.5*initialLength, 0), Vec3(0, 0, 2*initialLength));
     vector<Vec3> positions(numParticles);
@@ -146,7 +146,6 @@ void testRandomSeed() {
     const int numParticles = 8;
     const double temp = 100.0;
     const double pressure = 1.5;
-    OpenCLPlatform platform;
     System system;
     system.setDefaultPeriodicBoxVectors(Vec3(8, 0, 0), Vec3(0, 8, 0), Vec3(0, 0, 8));
     VerletIntegrator integrator(0.01);
@@ -219,7 +218,6 @@ void testWater() {
 
     // Create a box of SPC water molecules.
 
-    OpenCLPlatform platform;
     System system;
     system.setDefaultPeriodicBoxVectors(Vec3(gridSize*spacing, 0, 0), Vec3(0, gridSize*spacing, 0), Vec3(0, 0, gridSize*spacing));
     NonbondedForce* nonbonded = new NonbondedForce();
@@ -273,8 +271,10 @@ void testWater() {
     ASSERT_USUALLY_EQUAL_TOL(1.0, density, 0.02);
 }
 
-int main() {
+int main(int argc, char* argv[]) {
     try {
+        if (argc > 1)
+            platform.setPropertyDefaultValue("OpenCLPrecision", string(argv[1]));
         testChangingBoxSize();
         testIdealGas();
         testRandomSeed();

platforms/opencl/tests/TestOpenCLMultipleForces.cpp

@@ -52,6 +52,8 @@
 using namespace OpenMM;
 using namespace std;
 
+OpenCLPlatform platform;
+
 const double TOL = 1e-5;
 
 void testForces() {
@@ -78,9 +80,8 @@ void testForces() {
     ReferencePlatform ref;
     VerletIntegrator integrator1(0.01);
     Context context1(system, integrator1, ref);
-    OpenCLPlatform cl;
     VerletIntegrator integrator2(0.01);
-    Context context2(system, integrator2, cl);
+    Context context2(system, integrator2, platform);
     OpenMM_SFMT::SFMT sfmt;
     init_gen_rand(0, sfmt);
     vector<Vec3> positions(numParticles);
@@ -97,8 +98,10 @@ void testForces() {
     ASSERT_EQUAL_TOL(state1.getPotentialEnergy(), state2.getPotentialEnergy(), TOL);
 }
 
-int main() {
+int main(int argc, char* argv[]) {
     try {
+        if (argc > 1)
+            platform.setPropertyDefaultValue("OpenCLPrecision", string(argv[1]));
         testForces();
     }
     catch(const exception& e) {

platforms/opencl/tests/TestOpenCLNonbondedForce.cpp

@@ -53,10 +53,11 @@
 using namespace OpenMM;
 using namespace std;
 
+OpenCLPlatform platform;
+
 const double TOL = 1e-5;
 
 void testCoulomb() {
-    OpenCLPlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -79,7 +80,6 @@ void testCoulomb() {
 }
 
 void testLJ() {
-    OpenCLPlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -104,7 +104,6 @@ void testLJ() {
 }
 
 void testExclusionsAnd14() {
-    OpenCLPlatform platform;
     System system;
     NonbondedForce* nonbonded = new NonbondedForce();
     for (int i = 0; i < 5; ++i) {
@@ -192,7 +191,6 @@ void testExclusionsAnd14() {
 }
 
 void testCutoff() {
-    OpenCLPlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -229,7 +227,6 @@ void testCutoff() {
 }
 
 void testCutoff14() {
-    OpenCLPlatform platform;
     System system;
     LangevinIntegrator integrator(0.0, 0.1, 0.01);
     NonbondedForce* nonbonded = new NonbondedForce();
@@ -325,7 +322,6 @@ void testCutoff14() {
 }
 
 void testPeriodic() {
-    OpenCLPlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -366,7 +362,6 @@ void testLargeSystem() {
     const double cutoff = 2.0;
     const double boxSize = 20.0;
     const double tol = 2e-3;
-    OpenCLPlatform cl;
     ReferencePlatform reference;
     System system;
     for (int i = 0; i < numParticles; i++)
@@ -404,7 +399,7 @@ void testLargeSystem() {
     system.addForce(bonds);
     VerletIntegrator integrator1(0.01);
     VerletIntegrator integrator2(0.01);
-    Context clContext(system, integrator1, cl);
+    Context clContext(system, integrator1, platform);
     Context referenceContext(system, integrator2, reference);
     clContext.setPositions(positions);
     clContext.setVelocities(velocities);
@@ -450,7 +445,6 @@ void testBlockInteractions(bool periodic) {
     const int numParticles = blockSize*numBlocks;
     const double cutoff = 1.0;
     const double boxSize = (periodic ? 5.1 : 1.1);
-    OpenCLPlatform cl;
     System system;
     VerletIntegrator integrator(0.01);
     NonbondedForce* nonbonded = new NonbondedForce();
@@ -467,7 +461,7 @@ void testBlockInteractions(bool periodic) {
     nonbonded->setCutoffDistance(cutoff);
     system.setDefaultPeriodicBoxVectors(Vec3(boxSize, 0, 0), Vec3(0, boxSize, 0), Vec3(0, 0, boxSize));
     system.addForce(nonbonded);
-    Context context(system, integrator, cl);
+    Context context(system, integrator, platform);
     context.setPositions(positions);
     ContextImpl* contextImpl = *reinterpret_cast<ContextImpl**>(&context);
     OpenCLPlatform::PlatformData& data = *static_cast<OpenCLPlatform::PlatformData*>(contextImpl->getPlatformData());
@@ -617,7 +611,6 @@ void testDispersionCorrection() {
     int numParticles = gridSize*gridSize*gridSize;
     double boxSize = gridSize*0.5;
     double cutoff = boxSize/3;
-    OpenCLPlatform platform;
     System system;
     VerletIntegrator integrator(0.01);
     NonbondedForce* nonbonded = new NonbondedForce();
@@ -684,7 +677,6 @@ void testChangingParameters() {
     const double cutoff = 2.0;
     const double boxSize = 20.0;
     const double tol = 2e-3;
-    OpenCLPlatform cl;
     ReferencePlatform reference;
     System system;
     for (int i = 0; i < numParticles; i++)
@@ -717,7 +709,7 @@ void testChangingParameters() {
     
     VerletIntegrator integrator1(0.01);
     VerletIntegrator integrator2(0.01);
-    Context clContext(system, integrator1, cl);
+    Context clContext(system, integrator1, platform);
     Context referenceContext(system, integrator2, reference);
     clContext.setPositions(positions);
     referenceContext.setPositions(positions);
@@ -750,7 +742,6 @@ void testChangingParameters() {
 }
 
 void testParallelComputation(bool useCutoff) {
-    OpenCLPlatform platform;
     System system;
     const int numParticles = 200;
     for (int i = 0; i < numParticles; i++)
@@ -809,8 +800,10 @@ void testParallelComputation(bool useCutoff) {
         ASSERT_EQUAL_VEC(state1.getForces()[i], state2.getForces()[i], 1e-5);
 }
 
-int main() {
+int main(int argc, char* argv[]) {
     try {
+        if (argc > 1)
+            platform.setPropertyDefaultValue("OpenCLPrecision", string(argv[1]));
         testCoulomb();
         testLJ();
         testExclusionsAnd14();

platforms/opencl/tests/TestOpenCLPeriodicTorsionForce.cpp

@@ -46,10 +46,11 @@
 using namespace OpenMM;
 using namespace std;
 
+OpenCLPlatform platform;
+
 const double TOL = 1e-5;
 
 void testPeriodicTorsions() {
-    OpenCLPlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -93,7 +94,6 @@ void testPeriodicTorsions() {
 }
 
 void testParallelComputation() {
-    OpenCLPlatform platform;
     System system;
     const int numParticles = 200;
     for (int i = 0; i < numParticles; i++)
@@ -121,8 +121,10 @@ void testParallelComputation() {
         ASSERT_EQUAL_VEC(state1.getForces()[i], state2.getForces()[i], 1e-5);
 }
 
-int main() {
+int main(int argc, char* argv[]) {
     try {
+        if (argc > 1)
+            platform.setPropertyDefaultValue("OpenCLPrecision", string(argv[1]));
         testPeriodicTorsions();
         testParallelComputation();
     }