Attempt to move the implementation of separate osrngseed() calls for each

Context into the platform rather than hacked into getRandomNumberSeed...

Someone please check this.

openmmapi/include/openmm/AndersenThermostat.h

@@ -105,8 +105,6 @@ public:
      * Get the random number seed.  See setRandomNumberSeed() for details.
      */
     int getRandomNumberSeed() const {
-        if (randomNumberSeed == 0)
-            return osrngseed();
         return randomNumberSeed;
     }
     /**

openmmapi/include/openmm/MonteCarloAnisotropicBarostat.h

@@ -36,7 +36,6 @@
 #include "Vec3.h"
 #include <string>
 #include "internal/windowsExport.h"
-#include "openmm/internal/OSRngSeed.h"
 
 namespace OpenMM {
 
@@ -160,8 +159,6 @@ public:
      * Get the random number seed.  See setRandomNumberSeed() for details.
      */
     int getRandomNumberSeed() const {
-        if (randomNumberSeed == 0)
-            return osrngseed();
         return randomNumberSeed;
     }
     /**

openmmapi/include/openmm/MonteCarloBarostat.h

@@ -35,7 +35,6 @@
 #include "Force.h"
 #include <string>
 #include "internal/windowsExport.h"
-#include "openmm/internal/OSRngSeed.h"
 
 namespace OpenMM {
 

openmmapi/src/BrownianIntegrator.cpp

@@ -33,7 +33,6 @@
 #include "openmm/Context.h"
 #include "openmm/OpenMMException.h"
 #include "openmm/internal/ContextImpl.h"
-#include "openmm/internal/OSRngSeed.h"
 #include "openmm/kernels.h"
 #include <string>
 
@@ -46,7 +45,7 @@ BrownianIntegrator::BrownianIntegrator(double temperature, double frictionCoeff,
     setFriction(frictionCoeff);
     setStepSize(stepSize);
     setConstraintTolerance(1e-5);
-    setRandomNumberSeed(osrngseed());
+    setRandomNumberSeed(0);
 }
 
 void BrownianIntegrator::initialize(ContextImpl& contextRef) {

openmmapi/src/CustomIntegrator.cpp

@@ -34,7 +34,6 @@
 #include "openmm/OpenMMException.h"
 #include "openmm/internal/AssertionUtilities.h"
 #include "openmm/internal/ContextImpl.h"
-#include "openmm/internal/OSRngSeed.h"
 #include "openmm/kernels.h"
 #include <set>
 #include <string>
@@ -45,7 +44,7 @@ using namespace std;
 CustomIntegrator::CustomIntegrator(double stepSize) : globalsAreCurrent(true), forcesAreValid(false) {
     setStepSize(stepSize);
     setConstraintTolerance(1e-5);
-    setRandomNumberSeed(osrngseed());
+    setRandomNumberSeed(0);
     kineticEnergy = "m*v*v/2";
 }
 

openmmapi/src/LangevinIntegrator.cpp

@@ -33,7 +33,6 @@
 #include "openmm/Context.h"
 #include "openmm/OpenMMException.h"
 #include "openmm/internal/ContextImpl.h"
-#include "openmm/internal/OSRngSeed.h"
 #include "openmm/kernels.h"
 #include <string>
 
@@ -46,7 +45,7 @@ LangevinIntegrator::LangevinIntegrator(double temperature, double frictionCoeff,
     setFriction(frictionCoeff);
     setStepSize(stepSize);
     setConstraintTolerance(1e-5);
-    setRandomNumberSeed(osrngseed());
+    setRandomNumberSeed(0);
 }
 
 void LangevinIntegrator::initialize(ContextImpl& contextRef) {

openmmapi/src/MonteCarloAnisotropicBarostatImpl.cpp

@@ -31,6 +31,7 @@
 
 #include "openmm/internal/MonteCarloAnisotropicBarostatImpl.h"
 #include "openmm/internal/ContextImpl.h"
+#include "openmm/internal/OSRngSeed.h"
 #include "openmm/Context.h"
 #include "openmm/kernels.h"
 #include <cmath>
@@ -60,7 +61,10 @@ void MonteCarloAnisotropicBarostatImpl::initialize(ContextImpl& context) {
         numAttempted[i] = 0;
         numAccepted[i] = 0;
     }
-    init_gen_rand(owner.getRandomNumberSeed(), random);
+    int randSeed = owner.getRandomNumberSeed();
+    // A random seed of 0 means pull a new one from the clock
+    if (randSeed == 0) randSeed = osrngseed();
+    init_gen_rand(randSeed, random);
 }
 
 void MonteCarloAnisotropicBarostatImpl::updateContextState(ContextImpl& context) {

openmmapi/src/MonteCarloBarostatImpl.cpp

@@ -31,6 +31,7 @@
 
 #include "openmm/internal/MonteCarloBarostatImpl.h"
 #include "openmm/internal/ContextImpl.h"
+#include "openmm/internal/OSRngSeed.h"
 #include "openmm/Context.h"
 #include "openmm/kernels.h"
 #include <cmath>
@@ -58,7 +59,10 @@ void MonteCarloBarostatImpl::initialize(ContextImpl& context) {
     volumeScale = 0.01*volume;
     numAttempted = 0;
     numAccepted = 0;
-    init_gen_rand(owner.getRandomNumberSeed(), random);
+    int randSeed = owner.getRandomNumberSeed();
+    // A random seed of 0 means pull a new one from the clock
+    if (randSeed == 0) randSeed = osrngseed();
+    init_gen_rand(randSeed, random);
 }
 
 void MonteCarloBarostatImpl::updateContextState(ContextImpl& context) {

openmmapi/src/MonteCarloMembraneBarostatImpl.cpp

@@ -31,6 +31,7 @@
 
 #include "openmm/internal/MonteCarloMembraneBarostatImpl.h"
 #include "openmm/internal/ContextImpl.h"
+#include "openmm/internal/OSRngSeed.h"
 #include "openmm/Context.h"
 #include "openmm/kernels.h"
 #include <cmath>
@@ -60,7 +61,10 @@ void MonteCarloMembraneBarostatImpl::initialize(ContextImpl& context) {
         numAttempted[i] = 0;
         numAccepted[i] = 0;
     }
-    init_gen_rand(owner.getRandomNumberSeed(), random);
+    int randSeed = owner.getRandomNumberSeed();
+    // A random seed of 0 means pull a new one from the clock
+    if (randSeed == 0) randSeed = osrngseed();
+    init_gen_rand(randSeed, random);
 }
 
 void MonteCarloMembraneBarostatImpl::updateContextState(ContextImpl& context) {

openmmapi/src/VariableLangevinIntegrator.cpp

@@ -33,7 +33,6 @@
 #include "openmm/Context.h"
 #include "openmm/OpenMMException.h"
 #include "openmm/internal/ContextImpl.h"
-#include "openmm/internal/OSRngSeed.h"
 #include "openmm/kernels.h"
 #include <limits>
 #include <string>
@@ -48,7 +47,7 @@ VariableLangevinIntegrator::VariableLangevinIntegrator(double temperature, doubl
     setFriction(frictionCoeff);
     setErrorTolerance(errorTol);
     setConstraintTolerance(1e-5);
-    setRandomNumberSeed(osrngseed());
+    setRandomNumberSeed(0);
     setStepSize(0.0);
 }
 

platforms/cuda/src/CudaIntegrationUtilities.cpp

@@ -27,6 +27,7 @@
 #include "CudaIntegrationUtilities.h"
 #include "CudaArray.h"
 #include "CudaKernelSources.h"
+#include "openmm/internal/OSRngSeed.h"
 #include "openmm/HarmonicAngleForce.h"
 #include "openmm/VirtualSite.h"
 #include "quern.h"
@@ -858,6 +859,7 @@ void CudaIntegrationUtilities::initRandomNumberGenerator(unsigned int randomNumb
 
     vector<int4> seed(randomSeed->getSize());
     unsigned int r = randomNumberSeed;
+    if (r == 0) r = (unsigned int) osrngseed();
     for (int i = 0; i < randomSeed->getSize(); i++) {
         seed[i].x = r = (1664525*r + 1013904223) & 0xFFFFFFFF;
         seed[i].y = r = (1664525*r + 1013904223) & 0xFFFFFFFF;

platforms/opencl/src/OpenCLIntegrationUtilities.cpp

@@ -27,6 +27,7 @@
 #include "OpenCLIntegrationUtilities.h"
 #include "OpenCLArray.h"
 #include "OpenCLKernelSources.h"
+#include "openmm/internal/OSRngSeed.h"
 #include "openmm/HarmonicAngleForce.h"
 #include "openmm/VirtualSite.h"
 #include "quern.h"
@@ -1003,6 +1004,8 @@ void OpenCLIntegrationUtilities::initRandomNumberGenerator(unsigned int randomNu
 
     vector<mm_int4> seed(randomSeed->getSize());
     unsigned int r = randomNumberSeed;
+    // A seed of 0 means pull one from the clock
+    if (r == 0) r = (unsigned int) osrngseed();
     for (int i = 0; i < randomSeed->getSize(); i++) {
         seed[i].x = r = (1664525*r + 1013904223) & 0xFFFFFFFF;
         seed[i].y = r = (1664525*r + 1013904223) & 0xFFFFFFFF;

platforms/reference/src/SimTKUtilities/SimTKOpenMMUtilities.cpp

@@ -24,6 +24,7 @@
 
 // class of shared, static utility methods
 
+#include "openmm/internal/OSRngSeed.h"
 #include "SimTKOpenMMUtilities.h"
 #include "SimTKOpenMMLog.h"
 #include "sfmt/SFMT.h"
@@ -361,6 +362,10 @@ void SimTKOpenMMUtilities::setRandomNumberSeed( uint32_t seed ) {
 
    // ---------------------------------------------------------------------------------------
 
+    // If the seed is 0, generate one from the clock
+    if (seed == 0)
+        _randomNumberSeed = (uint32_t) osrngseed();
+    else
         _randomNumberSeed = seed;
    _randomInitialized = false;
 }