Moved SFMT into libraries folder, and restructured it to allow multiple...

Moved SFMT into libraries folder, and restructured it to allow multiple independent random number generators

platforms/opencl/tests/TestOpenCLCustomGBForce.cpp

@@ -35,7 +35,7 @@
  */
 
 #include "../../../tests/AssertionUtilities.h"
-#include "../src/sfmt/SFMT.h"
+#include "sfmt/SFMT.h"
 #include "openmm/Context.h"
 #include "OpenCLPlatform.h"
 #include "openmm/CustomGBForce.h"
@@ -89,7 +89,9 @@ void testOBC(GBSAOBCForce::NonbondedMethod obcMethod, CustomGBForce::NonbondedMe
                           "f=sqrt(r^2+B1*B2*exp(-r^2/(4*B1*B2)))", CustomGBForce::ParticlePairNoExclusions);
     vector<Vec3> positions(numParticles);
     vector<Vec3> velocities(numParticles);
-    init_gen_rand(0);
+    OpenMM_SFMT::SFMT sfmt;
+    init_gen_rand(0, sfmt);
+
     vector<double> params(3);
     for (int i = 0; i < numMolecules; i++) {
         if (i < numMolecules/2) {
@@ -114,10 +116,10 @@ void testOBC(GBSAOBCForce::NonbondedMethod obcMethod, CustomGBForce::NonbondedMe
             params[1] = 0.1;
             custom->addParticle(params);
         }
-        positions[2*i] = Vec3(boxSize*genrand_real2(), boxSize*genrand_real2(), boxSize*genrand_real2());
+        positions[2*i] = Vec3(boxSize*genrand_real2(sfmt), boxSize*genrand_real2(sfmt), boxSize*genrand_real2(sfmt));
         positions[2*i+1] = Vec3(positions[2*i][0]+1.0, positions[2*i][1], positions[2*i][2]);
-        velocities[2*i] = Vec3(genrand_real2(), genrand_real2(), genrand_real2());
-        velocities[2*i+1] = Vec3(genrand_real2(), genrand_real2(), genrand_real2());
+        velocities[2*i] = Vec3(genrand_real2(sfmt), genrand_real2(sfmt), genrand_real2(sfmt));
+        velocities[2*i+1] = Vec3(genrand_real2(sfmt), genrand_real2(sfmt), genrand_real2(sfmt));
     }
     obc->setNonbondedMethod(obcMethod);
     custom->setNonbondedMethod(customMethod);
@@ -217,10 +219,12 @@ void testPositionDependence() {
     Context context(system, integrator, platform);
     vector<Vec3> positions(2);
     vector<Vec3> forces(2);
-    init_gen_rand(0);
+    OpenMM_SFMT::SFMT sfmt;
+    init_gen_rand(0, sfmt);
+
     for (int i = 0; i < 5; i++) {
-        positions[0] = Vec3(genrand_real2(), genrand_real2(), genrand_real2());
-        positions[1] = Vec3(genrand_real2(), genrand_real2(), genrand_real2());
+        positions[0] = Vec3(genrand_real2(sfmt), genrand_real2(sfmt), genrand_real2(sfmt));
+        positions[1] = Vec3(genrand_real2(sfmt), genrand_real2(sfmt), genrand_real2(sfmt));
         context.setPositions(positions);
         State state = context.getState(State::Forces | State::Energy);
         const vector<Vec3>& forces = state.getForces();

platforms/opencl/tests/TestOpenCLCustomHbondForce.cpp

@@ -42,7 +42,7 @@
 #include "openmm/PeriodicTorsionForce.h"
 #include "openmm/System.h"
 #include "openmm/VerletIntegrator.h"
-#include "../src/sfmt/SFMT.h"
+#include "sfmt/SFMT.h"
 #include <iostream>
 #include <vector>
 
@@ -105,7 +105,9 @@ void testHbond() {
 
     // Set the atoms in various positions, and verify that both systems give identical forces and energy.
 
-    init_gen_rand(0);
+    OpenMM_SFMT::SFMT sfmt;
+    init_gen_rand(0, sfmt);
+
     vector<Vec3> positions(5);
     VerletIntegrator integrator1(0.01);
     VerletIntegrator integrator2(0.01);
@@ -113,7 +115,7 @@ void testHbond() {
         Context c1(customSystem, integrator1, platform);
         Context c2(standardSystem, integrator2, platform);
         for (int j = 0; j < (int) positions.size(); j++)
-            positions[j] = Vec3(2.0*genrand_real2(), 2.0*genrand_real2(), 2.0*genrand_real2());
+            positions[j] = Vec3(2.0*genrand_real2(sfmt), 2.0*genrand_real2(sfmt), 2.0*genrand_real2(sfmt));
         c1.setPositions(positions);
         c2.setPositions(positions);
         State s1 = c1.getState(State::Forces | State::Energy);

platforms/opencl/tests/TestOpenCLCustomNonbondedForce.cpp

@@ -35,7 +35,7 @@
  */
 
 #include "../../../tests/AssertionUtilities.h"
-#include "../src/sfmt/SFMT.h"
+#include "sfmt/SFMT.h"
 #include "openmm/Context.h"
 #include "OpenCLPlatform.h"
 #include "openmm/CustomNonbondedForce.h"
@@ -295,7 +295,9 @@ void testCoulombLennardJones() {
     customNonbonded->addPerParticleParameter("eps");
     vector<Vec3> positions(numParticles);
     vector<Vec3> velocities(numParticles);
-    init_gen_rand(0);
+    OpenMM_SFMT::SFMT sfmt;
+    init_gen_rand(0, sfmt);
+
     vector<double> params(3);
     for (int i = 0; i < numMolecules; i++) {
         if (i < numMolecules/2) {
@@ -320,10 +322,10 @@ void testCoulombLennardJones() {
             params[1] = 0.1;
             customNonbonded->addParticle(params);
         }
-        positions[2*i] = Vec3(boxSize*genrand_real2(), boxSize*genrand_real2(), boxSize*genrand_real2());
+        positions[2*i] = Vec3(boxSize*genrand_real2(sfmt), boxSize*genrand_real2(sfmt), boxSize*genrand_real2(sfmt));
         positions[2*i+1] = Vec3(positions[2*i][0]+1.0, positions[2*i][1], positions[2*i][2]);
-        velocities[2*i] = Vec3(genrand_real2(), genrand_real2(), genrand_real2());
-        velocities[2*i+1] = Vec3(genrand_real2(), genrand_real2(), genrand_real2());
+        velocities[2*i] = Vec3(genrand_real2(sfmt), genrand_real2(sfmt), genrand_real2(sfmt));
+        velocities[2*i+1] = Vec3(genrand_real2(sfmt), genrand_real2(sfmt), genrand_real2(sfmt));
         standardNonbonded->addException(2*i, 2*i+1, 0.0, 1.0, 0.0);
         customNonbonded->addExclusion(2*i, 2*i+1);
     }

platforms/opencl/tests/TestOpenCLCustomTorsionForce.cpp

@@ -40,7 +40,7 @@
 #include "openmm/PeriodicTorsionForce.h"
 #include "openmm/System.h"
 #include "openmm/VerletIntegrator.h"
-#include "../src/sfmt/SFMT.h"
+#include "sfmt/SFMT.h"
 #include <iostream>
 #include <vector>
 
@@ -89,7 +89,9 @@ void testTorsions() {
 
     // Set the atoms in various positions, and verify that both systems give identical forces and energy.
 
-    init_gen_rand(0);
+    OpenMM_SFMT::SFMT sfmt;
+    init_gen_rand(0, sfmt);
+
     vector<Vec3> positions(5);
     VerletIntegrator integrator1(0.01);
     VerletIntegrator integrator2(0.01);
@@ -97,7 +99,7 @@ void testTorsions() {
         Context c1(customSystem, integrator1, platform);
         Context c2(harmonicSystem, integrator2, platform);
         for (int j = 0; j < (int) positions.size(); j++)
-            positions[j] = Vec3(5.0*genrand_real2(), 5.0*genrand_real2(), 5.0*genrand_real2());
+            positions[j] = Vec3(5.0*genrand_real2(sfmt), 5.0*genrand_real2(sfmt), 5.0*genrand_real2(sfmt));
         c1.setPositions(positions);
         c2.setPositions(positions);
         State s1 = c1.getState(State::Forces | State::Energy);

platforms/opencl/tests/TestOpenCLEwald.cpp

@@ -43,7 +43,7 @@
 #include "openmm/VerletIntegrator.h"
 #include "openmm/internal/ContextImpl.h"
 #include "../src/SimTKUtilities/SimTKOpenMMRealType.h"
-#include "../src/sfmt/SFMT.h"
+#include "sfmt/SFMT.h"
 #include <iostream>
 #include <vector>
 
@@ -208,11 +208,13 @@ void testErrorTolerance(NonbondedForce::NonbondedMethod method) {
     NonbondedForce* force = new NonbondedForce();
     system.addForce(force);
     vector<Vec3> positions(numParticles);
-    init_gen_rand(0);
+    OpenMM_SFMT::SFMT sfmt;
+    init_gen_rand(0, sfmt);
+
     for (int i = 0; i < numParticles; i++) {
         system.addParticle(1.0);
         force->addParticle(-1.0+i*2.0/(numParticles-1), 1.0, 0.0);
-        positions[i] = Vec3(boxWidth*genrand_real2(), boxWidth*genrand_real2(), boxWidth*genrand_real2());
+        positions[i] = Vec3(boxWidth*genrand_real2(sfmt), boxWidth*genrand_real2(sfmt), boxWidth*genrand_real2(sfmt));
     }
     force->setNonbondedMethod(method);
     OpenCLPlatform platform;

platforms/opencl/tests/TestOpenCLGBSAOBCForce.cpp

@@ -41,7 +41,7 @@
 #include "openmm/System.h"
 #include "openmm/LangevinIntegrator.h"
 #include "../src/SimTKUtilities/SimTKOpenMMRealType.h"
-#include "../src/sfmt/SFMT.h"
+#include "sfmt/SFMT.h"
 #include "openmm/NonbondedForce.h"
 #include <iostream>
 #include <vector>
@@ -162,13 +162,15 @@ void testForce(int numParticles, NonbondedForce::NonbondedMethod method, GBSAOBC
     // Set random (but uniformly distributed) positions for all the particles.
 
     vector<Vec3> positions(numParticles);
-    init_gen_rand(0);
+    OpenMM_SFMT::SFMT sfmt;
+    init_gen_rand(0, sfmt);
+
     for (int i = 0; i < grid; i++)
         for (int j = 0; j < grid; j++)
             for (int k = 0; k < grid; k++)
                 positions[i*grid*grid+j*grid+k] = Vec3(i*1.1, j*1.1, k*1.1);
     for (int i = 0; i < numParticles; ++i)
-        positions[i] = positions[i] + Vec3(0.5*genrand_real2(), 0.5*genrand_real2(), 0.5*genrand_real2());
+        positions[i] = positions[i] + Vec3(0.5*genrand_real2(sfmt), 0.5*genrand_real2(sfmt), 0.5*genrand_real2(sfmt));
     context.setPositions(positions);
     refContext.setPositions(positions);
     State state = context.getState(State::Forces | State::Energy);

platforms/opencl/tests/TestOpenCLLangevinIntegrator.cpp

@@ -41,7 +41,7 @@
 #include "openmm/System.h"
 #include "openmm/LangevinIntegrator.h"
 #include "../src/SimTKUtilities/SimTKOpenMMRealType.h"
-#include "../src/sfmt/SFMT.h"
+#include "sfmt/SFMT.h"
 #include <iostream>
 #include <vector>
 
@@ -151,10 +151,12 @@ void testConstraints() {
     Context context(system, integrator, platform);
     vector<Vec3> positions(numParticles);
     vector<Vec3> velocities(numParticles);
-    init_gen_rand(0);
+    OpenMM_SFMT::SFMT sfmt;
+    init_gen_rand(0, sfmt);
+
     for (int i = 0; i < numParticles; ++i) {
         positions[i] = Vec3(i/2, (i+1)/2, 0);
-        velocities[i] = Vec3(genrand_real2()-0.5, genrand_real2()-0.5, genrand_real2()-0.5);
+        velocities[i] = Vec3(genrand_real2(sfmt)-0.5, genrand_real2(sfmt)-0.5, genrand_real2(sfmt)-0.5);
     }
     context.setPositions(positions);
     context.setVelocities(velocities);

platforms/opencl/tests/TestOpenCLNonbondedForce.cpp

@@ -46,7 +46,7 @@
 #include "OpenCLArray.h"
 #include "OpenCLNonbondedUtilities.h"
 #include "../src/SimTKUtilities/SimTKOpenMMRealType.h"
-#include "../src/sfmt/SFMT.h"
+#include "sfmt/SFMT.h"
 #include <iostream>
 #include <vector>
 
@@ -375,7 +375,9 @@ void testLargeSystem() {
     HarmonicBondForce* bonds = new HarmonicBondForce();
     vector<Vec3> positions(numParticles);
     vector<Vec3> velocities(numParticles);
-    init_gen_rand(0);
+    OpenMM_SFMT::SFMT sfmt;
+    init_gen_rand(0, sfmt);
+
     for (int i = 0; i < numMolecules; i++) {
         if (i < numMolecules/2) {
             nonbonded->addParticle(-1.0, 0.2, 0.1);
@@ -385,10 +387,10 @@ void testLargeSystem() {
             nonbonded->addParticle(-1.0, 0.2, 0.2);
             nonbonded->addParticle(1.0, 0.1, 0.2);
         }
-        positions[2*i] = Vec3(boxSize*genrand_real2(), boxSize*genrand_real2(), boxSize*genrand_real2());
+        positions[2*i] = Vec3(boxSize*genrand_real2(sfmt), boxSize*genrand_real2(sfmt), boxSize*genrand_real2(sfmt));
         positions[2*i+1] = Vec3(positions[2*i][0]+1.0, positions[2*i][1], positions[2*i][2]);
-        velocities[2*i] = Vec3(genrand_real2(), genrand_real2(), genrand_real2());
-        velocities[2*i+1] = Vec3(genrand_real2(), genrand_real2(), genrand_real2());
+        velocities[2*i] = Vec3(genrand_real2(sfmt), genrand_real2(sfmt), genrand_real2(sfmt));
+        velocities[2*i+1] = Vec3(genrand_real2(sfmt), genrand_real2(sfmt), genrand_real2(sfmt));
         bonds->addBond(2*i, 2*i+1, 1.0, 0.1);
         nonbonded->addException(2*i, 2*i+1, 0.0, 0.15, 0.0);
     }
@@ -448,11 +450,13 @@ void testBlockInteractions(bool periodic) {
     VerletIntegrator integrator(0.01);
     NonbondedForce* nonbonded = new NonbondedForce();
     vector<Vec3> positions(numParticles);
-    init_gen_rand(0);
+    OpenMM_SFMT::SFMT sfmt;
+    init_gen_rand(0, sfmt);
+
     for (int i = 0; i < numParticles; i++) {
         system.addParticle(1.0);
         nonbonded->addParticle(1.0, 0.2, 0.2);
-        positions[i] = Vec3(boxSize*(3*genrand_real2()-1), boxSize*(3*genrand_real2()-1), boxSize*(3*genrand_real2()-1));
+        positions[i] = Vec3(boxSize*(3*genrand_real2(sfmt)-1), boxSize*(3*genrand_real2(sfmt)-1), boxSize*(3*genrand_real2(sfmt)-1));
     }
     nonbonded->setNonbondedMethod(periodic ? NonbondedForce::CutoffPeriodic : NonbondedForce::CutoffNonPeriodic);
     nonbonded->setCutoffDistance(cutoff);

platforms/opencl/tests/TestOpenCLSettle.cpp

@@ -40,7 +40,7 @@
 #include "openmm/NonbondedForce.h"
 #include "openmm/System.h"
 #include "openmm/LangevinIntegrator.h"
-#include "../src/sfmt/SFMT.h"
+#include "sfmt/SFMT.h"
 #include <iostream>
 #include <vector>
 
@@ -72,14 +72,16 @@ void testConstraints() {
     Context context(system, integrator, platform);
     vector<Vec3> positions(numParticles);
     vector<Vec3> velocities(numParticles);
-    init_gen_rand(0);
+    OpenMM_SFMT::SFMT sfmt;
+    init_gen_rand(0, sfmt);
+
     for (int i = 0; i < numMolecules; ++i) {
         positions[i*3] = Vec3((i%4)*0.4, (i/4)*0.4, 0);
         positions[i*3+1] = positions[i*3]+Vec3(0.1, 0, 0);
         positions[i*3+2] = positions[i*3]+Vec3(-0.03333, 0.09428, 0);
-        velocities[i*3] = Vec3(genrand_real2()-0.5, genrand_real2()-0.5, genrand_real2()-0.5);
-        velocities[i*3+1] = Vec3(genrand_real2()-0.5, genrand_real2()-0.5, genrand_real2()-0.5);
-        velocities[i*3+2] = Vec3(genrand_real2()-0.5, genrand_real2()-0.5, genrand_real2()-0.5);
+        velocities[i*3] = Vec3(genrand_real2(sfmt)-0.5, genrand_real2(sfmt)-0.5, genrand_real2(sfmt)-0.5);
+        velocities[i*3+1] = Vec3(genrand_real2(sfmt)-0.5, genrand_real2(sfmt)-0.5, genrand_real2(sfmt)-0.5);
+        velocities[i*3+2] = Vec3(genrand_real2(sfmt)-0.5, genrand_real2(sfmt)-0.5, genrand_real2(sfmt)-0.5);
     }
     context.setPositions(positions);
     context.setVelocities(velocities);

platforms/opencl/tests/TestOpenCLSort.cpp

@@ -37,7 +37,7 @@
 #include "../src/OpenCLArray.h"
 #include "../src/OpenCLContext.h"
 #include "../src/OpenCLSort.h"
-#include "../src/sfmt/SFMT.h"
+#include "sfmt/SFMT.h"
 #include "openmm/System.h"
 #include <iostream>
 #include <cmath>
@@ -74,19 +74,23 @@ void verifySorting(vector<float> array) {
 
 void testUniformValues()
 {
-    init_gen_rand(0);
+    OpenMM_SFMT::SFMT sfmt;
+    init_gen_rand(0, sfmt);
+
     vector<float> array(10000);
     for (int i = 0; i < (int) array.size(); i++)
-        array[i] = (float) genrand_real2();
+        array[i] = (float) genrand_real2(sfmt);
     verifySorting(array);
 }
 
 void testLogValues()
 {
-    init_gen_rand(0);
+    OpenMM_SFMT::SFMT sfmt;
+    init_gen_rand(0, sfmt);
+
     vector<float> array(10000);
     for (int i = 0; i < (int) array.size(); i++)
-        array[i] = (float) log(genrand_real2());
+        array[i] = (float) log(genrand_real2(sfmt));
     verifySorting(array);
 }
 

platforms/opencl/tests/TestOpenCLVariableLangevinIntegrator.cpp

@@ -41,7 +41,7 @@
 #include "openmm/System.h"
 #include "openmm/VariableLangevinIntegrator.h"
 #include "../src/SimTKUtilities/SimTKOpenMMRealType.h"
-#include "../src/sfmt/SFMT.h"
+#include "sfmt/SFMT.h"
 #include <iostream>
 #include <vector>
 
@@ -148,10 +148,12 @@ void testConstraints() {
     Context context(system, integrator, platform);
     vector<Vec3> positions(numParticles);
     vector<Vec3> velocities(numParticles);
-    init_gen_rand(0);
+    OpenMM_SFMT::SFMT sfmt;
+    init_gen_rand(0, sfmt);
+
     for (int i = 0; i < numParticles; ++i) {
         positions[i] = Vec3(i/2, (i+1)/2, 0);
-        velocities[i] = Vec3(genrand_real2()-0.5, genrand_real2()-0.5, genrand_real2()-0.5);
+        velocities[i] = Vec3(genrand_real2(sfmt)-0.5, genrand_real2(sfmt)-0.5, genrand_real2(sfmt)-0.5);
     }
     context.setPositions(positions);
     context.setVelocities(velocities);

platforms/opencl/tests/TestOpenCLVariableVerletIntegrator.cpp

@@ -41,7 +41,7 @@
 #include "openmm/System.h"
 #include "openmm/VariableVerletIntegrator.h"
 #include "../src/SimTKUtilities/SimTKOpenMMRealType.h"
-#include "../src/sfmt/SFMT.h"
+#include "sfmt/SFMT.h"
 #include <iostream>
 #include <vector>
 
@@ -107,10 +107,12 @@ void testConstraints() {
     Context context(system, integrator, platform);
     vector<Vec3> positions(numParticles);
     vector<Vec3> velocities(numParticles);
-    init_gen_rand(0);
+    OpenMM_SFMT::SFMT sfmt;
+    init_gen_rand(0, sfmt);
+
     for (int i = 0; i < numParticles; ++i) {
         positions[i] = Vec3(i/2, (i+1)/2, 0);
-        velocities[i] = Vec3(genrand_real2()-0.5, genrand_real2()-0.5, genrand_real2()-0.5);
+        velocities[i] = Vec3(genrand_real2(sfmt)-0.5, genrand_real2(sfmt)-0.5, genrand_real2(sfmt)-0.5);
     }
     context.setPositions(positions);
     context.setVelocities(velocities);
@@ -179,9 +181,11 @@ void testConstrainedClusters() {
     positions[5] = Vec3(2, 0, 0);
     positions[6] = Vec3(1, 1, 0);
     vector<Vec3> velocities(numParticles);
-    init_gen_rand(0);
+    OpenMM_SFMT::SFMT sfmt;
+    init_gen_rand(0, sfmt);
+
     for (int i = 0; i < numParticles; ++i)
-        velocities[i] = Vec3(genrand_real2()-0.5, genrand_real2()-0.5, genrand_real2()-0.5);
+        velocities[i] = Vec3(genrand_real2(sfmt)-0.5, genrand_real2(sfmt)-0.5, genrand_real2(sfmt)-0.5);
     context.setPositions(positions);
     context.setVelocities(velocities);
 

platforms/opencl/tests/TestOpenCLVerletIntegrator.cpp

@@ -41,7 +41,7 @@
 #include "openmm/System.h"
 #include "openmm/VerletIntegrator.h"
 #include "../src/SimTKUtilities/SimTKOpenMMRealType.h"
-#include "../src/sfmt/SFMT.h"
+#include "sfmt/SFMT.h"
 #include <iostream>
 #include <vector>
 
@@ -107,10 +107,12 @@ void testConstraints() {
     Context context(system, integrator, platform);
     vector<Vec3> positions(numParticles);
     vector<Vec3> velocities(numParticles);
-    init_gen_rand(0);
+    OpenMM_SFMT::SFMT sfmt;
+    init_gen_rand(0, sfmt);
+
     for (int i = 0; i < numParticles; ++i) {
         positions[i] = Vec3(i/2, (i+1)/2, 0);
-        velocities[i] = Vec3(genrand_real2()-0.5, genrand_real2()-0.5, genrand_real2()-0.5);
+        velocities[i] = Vec3(genrand_real2(sfmt)-0.5, genrand_real2(sfmt)-0.5, genrand_real2(sfmt)-0.5);
     }
     context.setPositions(positions);
     context.setVelocities(velocities);
@@ -171,9 +173,11 @@ void testConstrainedClusters() {
     positions[5] = Vec3(2, 0, 0);
     positions[6] = Vec3(1, 1, 0);
     vector<Vec3> velocities(numParticles);
-    init_gen_rand(0);
+    OpenMM_SFMT::SFMT sfmt;
+    init_gen_rand(0, sfmt);
+
     for (int i = 0; i < numParticles; ++i)
-        velocities[i] = Vec3(genrand_real2()-0.5, genrand_real2()-0.5, genrand_real2()-0.5);
+        velocities[i] = Vec3(genrand_real2(sfmt)-0.5, genrand_real2(sfmt)-0.5, genrand_real2(sfmt)-0.5);
     context.setPositions(positions);
     context.setVelocities(velocities);
 

platforms/reference/src/SimTKUtilities/SimTKOpenMMUtilities.cpp

@@ -26,7 +26,7 @@
 
 #include "SimTKOpenMMUtilities.h"
 #include "SimTKOpenMMLog.h"
-#include "../sfmt/SFMT.h"
+#include "sfmt/SFMT.h"
 
 // fabs(), ...
 
@@ -37,6 +37,7 @@ uint32_t SimTKOpenMMUtilities::_randomNumberSeed = 0;
 bool SimTKOpenMMUtilities::_randomInitialized = false;
 bool SimTKOpenMMUtilities::nextGaussianIsValid = false;
 RealOpenMM SimTKOpenMMUtilities::nextGaussian = 0;
+OpenMM_SFMT::SFMT SimTKOpenMMUtilities::sfmt;
 
 /* ---------------------------------------------------------------------------------------
 
@@ -1436,7 +1437,7 @@ RealOpenMM SimTKOpenMMUtilities::getNormallyDistributedRandomNumber( void ) {
         return nextGaussian;
     }
     if (!_randomInitialized) {
-        init_gen_rand(_randomNumberSeed);
+        init_gen_rand(_randomNumberSeed, sfmt);
         _randomInitialized = true;
         nextGaussianIsValid = false;
     }
@@ -1445,8 +1446,8 @@ RealOpenMM SimTKOpenMMUtilities::getNormallyDistributedRandomNumber( void ) {
     
     RealOpenMM x, y, r2;
     do {
-        x = static_cast<RealOpenMM>(2.0 * genrand_real2() - 1.0);
-        y = static_cast<RealOpenMM>(2.0 * genrand_real2() - 1.0);
+        x = static_cast<RealOpenMM>(2.0 * genrand_real2(sfmt) - 1.0);
+        y = static_cast<RealOpenMM>(2.0 * genrand_real2(sfmt) - 1.0);
         r2 = x*x + y*y;
     } while (r2 >= 1.0 || r2 == 0.0);
     RealOpenMM multiplier = static_cast<RealOpenMM>( sqrt((-2.0*log(r2))/r2) );
@@ -1465,11 +1466,11 @@ RealOpenMM SimTKOpenMMUtilities::getNormallyDistributedRandomNumber( void ) {
 
 RealOpenMM SimTKOpenMMUtilities::getUniformlyDistributedRandomNumber( void ) {
     if (!_randomInitialized) {
-        init_gen_rand(_randomNumberSeed);
+        init_gen_rand(_randomNumberSeed, sfmt);
         _randomInitialized = true;
         nextGaussianIsValid = false;
     }
-    RealOpenMM value = static_cast<RealOpenMM>( genrand_real2() );
+    RealOpenMM value = static_cast<RealOpenMM>( genrand_real2(sfmt) );
     return value;
 }
 

platforms/reference/src/SimTKUtilities/SimTKOpenMMUtilities.h

@@ -28,7 +28,7 @@
 // class of shared, static utility methods
 
 #include "SimTKOpenMMCommon.h" 
-#include "../sfmt/SFMT.h"
+#include "sfmt/SFMT.h"
 #include "openmm/internal/windowsExport.h"
 
 #include <stdio.h>
@@ -60,6 +60,7 @@ class OPENMM_EXPORT SimTKOpenMMUtilities {
        static bool _randomInitialized;
        static bool nextGaussianIsValid;
        static RealOpenMM nextGaussian;
+       static OpenMM_SFMT::SFMT sfmt;
 
    public:
 

platforms/reference/tests/TestReferenceAndersenThermostat.cpp

@@ -41,7 +41,7 @@
 #include "openmm/System.h"
 #include "openmm/VerletIntegrator.h"
 #include "../src/SimTKUtilities/SimTKOpenMMRealType.h"
-#include "../src/sfmt/SFMT.h"
+#include "sfmt/SFMT.h"
 #include <iostream>
 #include <vector>
 

platforms/reference/tests/TestReferenceBrownianIntegrator.cpp

@@ -41,7 +41,7 @@
 #include "openmm/System.h"
 #include "openmm/BrownianIntegrator.h"
 #include "../src/SimTKUtilities/SimTKOpenMMRealType.h"
-#include "../src/sfmt/SFMT.h"
+#include "sfmt/SFMT.h"
 #include <iostream>
 #include <vector>
 
@@ -140,10 +140,12 @@ void testConstraints() {
     Context context(system, integrator, platform);
     vector<Vec3> positions(numParticles);
     vector<Vec3> velocities(numParticles);
-    init_gen_rand(0);
+    OpenMM_SFMT::SFMT sfmt;
+    init_gen_rand(0, sfmt);
+
     for (int i = 0; i < numParticles; ++i) {
         positions[i] = Vec3(i/2, (i+1)/2, 0);
-        velocities[i] = Vec3(genrand_real2()-0.5, genrand_real2()-0.5, genrand_real2()-0.5);
+        velocities[i] = Vec3(genrand_real2(sfmt)-0.5, genrand_real2(sfmt)-0.5, genrand_real2(sfmt)-0.5);
     }
     context.setPositions(positions);
     context.setVelocities(velocities);

platforms/reference/tests/TestReferenceCMMotionRemover.cpp

@@ -42,7 +42,7 @@
 #include "openmm/System.h"
 #include "openmm/VerletIntegrator.h"
 #include "../src/SimTKUtilities/SimTKOpenMMRealType.h"
-#include "../src/sfmt/SFMT.h"
+#include "sfmt/SFMT.h"
 #include <iostream>
 #include <vector>
 
@@ -80,10 +80,12 @@ void testMotionRemoval() {
     Context context(system, integrator, platform);
     vector<Vec3> positions(numParticles);
     vector<Vec3> velocities(numParticles);
-    init_gen_rand(0);
+    OpenMM_SFMT::SFMT sfmt;
+    init_gen_rand(0, sfmt);
+
     for (int i = 0; i < numParticles; ++i) {
         positions[i] = Vec3((i%2 == 0 ? 2 : -2), (i%4 < 2 ? 2 : -2), (i < 4 ? 2 : -2));
-        velocities[i] = Vec3(genrand_real2()-0.5, genrand_real2()-0.5, genrand_real2()-0.5);
+        velocities[i] = Vec3(genrand_real2(sfmt)-0.5, genrand_real2(sfmt)-0.5, genrand_real2(sfmt)-0.5);
     }
     context.setPositions(positions);
     context.setVelocities(velocities);

platforms/reference/tests/TestReferenceCustomAngleForce.cpp

@@ -40,7 +40,7 @@
 #include "openmm/HarmonicAngleForce.h"
 #include "openmm/System.h"
 #include "openmm/VerletIntegrator.h"
-#include "../src/sfmt/SFMT.h"
+#include "sfmt/SFMT.h"
 #include <iostream>
 #include <vector>
 
@@ -87,7 +87,9 @@ void testAngles() {
 
     // Set the atoms in various positions, and verify that both systems give identical forces and energy.
 
-    init_gen_rand(0);
+    OpenMM_SFMT::SFMT sfmt;
+    init_gen_rand(0, sfmt);
+
     vector<Vec3> positions(4);
     VerletIntegrator integrator1(0.01);
     VerletIntegrator integrator2(0.01);
@@ -95,7 +97,7 @@ void testAngles() {
         Context c1(customSystem, integrator1, platform);
         Context c2(harmonicSystem, integrator2, platform);
         for (int j = 0; j < (int) positions.size(); j++)
-            positions[j] = Vec3(5.0*genrand_real2(), 5.0*genrand_real2(), 5.0*genrand_real2());
+            positions[j] = Vec3(5.0*genrand_real2(sfmt), 5.0*genrand_real2(sfmt), 5.0*genrand_real2(sfmt));
         c1.setPositions(positions);
         c2.setPositions(positions);
         State s1 = c1.getState(State::Forces | State::Energy);

platforms/reference/tests/TestReferenceCustomGBForce.cpp

@@ -35,7 +35,7 @@
  */
 
 #include "../../../tests/AssertionUtilities.h"
-#include "../src/sfmt/SFMT.h"
+#include "sfmt/SFMT.h"
 #include "openmm/Context.h"
 #include "ReferencePlatform.h"
 #include "openmm/CustomGBForce.h"
@@ -91,7 +91,9 @@ void testOBC(GBSAOBCForce::NonbondedMethod obcMethod, CustomGBForce::NonbondedMe
                           "f=sqrt(r^2+B1*B2*exp(-r^2/(4*B1*B2)))", CustomGBForce::ParticlePairNoExclusions);
     vector<Vec3> positions(numParticles);
     vector<Vec3> velocities(numParticles);
-    init_gen_rand(0);
+    OpenMM_SFMT::SFMT sfmt;
+    init_gen_rand(0, sfmt);
+
     vector<double> params(3);
     for (int i = 0; i < numMolecules; i++) {
         if (i < numMolecules/2) {
@@ -116,10 +118,10 @@ void testOBC(GBSAOBCForce::NonbondedMethod obcMethod, CustomGBForce::NonbondedMe
             params[1] = 0.1;
             custom->addParticle(params);
         }
-        positions[2*i] = Vec3(boxSize*genrand_real2(), boxSize*genrand_real2(), boxSize*genrand_real2());
+        positions[2*i] = Vec3(boxSize*genrand_real2(sfmt), boxSize*genrand_real2(sfmt), boxSize*genrand_real2(sfmt));
         positions[2*i+1] = Vec3(positions[2*i][0]+1.0, positions[2*i][1], positions[2*i][2]);
-        velocities[2*i] = Vec3(genrand_real2(), genrand_real2(), genrand_real2());
-        velocities[2*i+1] = Vec3(genrand_real2(), genrand_real2(), genrand_real2());
+        velocities[2*i] = Vec3(genrand_real2(sfmt), genrand_real2(sfmt), genrand_real2(sfmt));
+        velocities[2*i+1] = Vec3(genrand_real2(sfmt), genrand_real2(sfmt), genrand_real2(sfmt));
     }
     obc->setNonbondedMethod(obcMethod);
     custom->setNonbondedMethod(customMethod);
@@ -219,10 +221,12 @@ void testPositionDependence() {
     Context context(system, integrator, platform);
     vector<Vec3> positions(2);
     vector<Vec3> forces(2);
-    init_gen_rand(0);
+    OpenMM_SFMT::SFMT sfmt;
+    init_gen_rand(0, sfmt);
+
     for (int i = 0; i < 5; i++) {
-        positions[0] = Vec3(genrand_real2(), genrand_real2(), genrand_real2());
-        positions[1] = Vec3(genrand_real2(), genrand_real2(), genrand_real2());
+        positions[0] = Vec3(genrand_real2(sfmt), genrand_real2(sfmt), genrand_real2(sfmt));
+        positions[1] = Vec3(genrand_real2(sfmt), genrand_real2(sfmt), genrand_real2(sfmt));
         context.setPositions(positions);
         State state = context.getState(State::Forces | State::Energy);
         const vector<Vec3>& forces = state.getForces();
@@ -762,10 +766,12 @@ void testGBVI(GBVIForce::NonbondedMethod gbviMethod, CustomGBForce::NonbondedMet
     loadGbviParameters( gbvi, customGbviForce, log );
     printCustomGbviInfo( customGbviForce, log );
 
-    init_gen_rand(0);
+    OpenMM_SFMT::SFMT sfmt;
+    init_gen_rand(0, sfmt);
+
     vector<Vec3> velocities(numParticles);
     for (int ii = 0; ii < numParticles; ii++) {
-        velocities[ii] = Vec3(genrand_real2(), genrand_real2(), genrand_real2());
+        velocities[ii] = Vec3(genrand_real2(sfmt), genrand_real2(sfmt), genrand_real2(sfmt));
     }
     gbvi->setNonbondedMethod(gbviMethod);
     customGbviForce->setNonbondedMethod(customGbviMethod);