(1) Minor changes to get rid of warnings from VC++.

(2) I disabled the block of code in the main CMakeLists file that tries to second guess VC++'s choices for runtime libraries. This was required for me to get CUDA to work in VC 2005 where the compiler always chooses multithreaded libraries. I verified that Brook will still build this way, but I haven't tested it.

CMakeLists.txt

@@ -272,6 +272,8 @@ INSTALL_FILES(/include                 FILES ${CORE_HEADERS})
 INSTALL_FILES(/include/openmm          FILES ${TOP_HEADERS})
 INSTALL_FILES(/include/openmm/internal FILES ${INTERNAL_HEADERS})
 
+
+IF(HELL_IS_FROZEN_OVER)
 # Set the build flags to link statically to the microsoft runtime library, unless
 # the user tells us otherwise, via the variable "USE_MSVC_RUNTIME_DLL"
 # It is a sore defect of cmake that makes these gymnastics necessary
@@ -340,6 +342,8 @@ IF(CMAKE_GENERATOR MATCHES "Visual Studio")
     SET(CMAKE_CXX_FLAGS_MINSIZEREL ${CMAKE_CXX_FLAGS_MINSIZEREL} CACHE STRING "" FORCE)
     
 ENDIF(CMAKE_GENERATOR MATCHES "Visual Studio")
+
+ENDIF(HELL_IS_FROZEN_OVER)
 #
 # Allow automated build and dashboard.
 #

openmmapi/include/openmm/internal/windowsExport.h

@@ -23,11 +23,15 @@
  */
 
 #ifdef _MSC_VER
-#if defined(OPENMM_BUILDING_SHARED_LIBRARY)
-    #define OPENMM_EXPORT __declspec(dllexport)
-	#elif defined(OPENMM_BUILDING_STATIC_LIBRARY) || defined(OPENMM_USE_STATIC_LIBRARIES)
+    // We don't want to hear about how sprintf is "unsafe".
+    #pragma warning(disable:4996)
+    #if defined(OPENMM_BUILDING_SHARED_LIBRARY)
+        #define OPENMM_EXPORT __declspec(dllexport)
+        // Keep MS VC++ quiet about lack of dll export of private members.
+        #pragma warning(disable:4251)
+    #elif defined(OPENMM_BUILDING_STATIC_LIBRARY) || defined(OPENMM_USE_STATIC_LIBRARIES)
 		#define OPENMM_EXPORT
-	#else
+    #else
 		#define OPENMM_EXPORT __declspec(dllimport)   // i.e., a client of a shared library
     #endif
 #else

platforms/cuda/tests/TestCudaRandom.cpp

@@ -77,7 +77,7 @@ void testGaussian() {
     double c2 = var-mean*mean;
     double c3 = skew-3*var*mean+2*mean*mean*mean;
     double c4 = kurtosis-4*skew*mean-3*var*var+12*var*mean*mean-6*mean*mean*mean*mean;
-    ASSERT_EQUAL_TOL(0.0, mean, 1.0/sqrt(numValues));
+    ASSERT_EQUAL_TOL(0.0, mean, 1.0/sqrt((double)numValues));
     ASSERT_EQUAL_TOL(1.0, c2, 1.0/pow(numValues, 1.0/3.0));
     ASSERT_EQUAL_TOL(0.0, c3, 1.0/pow(numValues, 1.0/4.0));
     ASSERT_EQUAL_TOL(0.0, c4, 1.0/pow(numValues, 1.0/4.0));

platforms/reference/src/ReferenceKernels.cpp

@@ -608,7 +608,7 @@ void ReferenceIntegrateVerletStepKernel::execute(OpenMMContextImpl& context, con
             delete constraints;
         }
         dynamics = new ReferenceVerletDynamics(context.getSystem().getNumParticles(), static_cast<RealOpenMM>(stepSize) );
-        constraints = new ReferenceShakeAlgorithm(numConstraints, constraintIndices, constraintDistances, integrator.getConstraintTolerance());
+        constraints = new ReferenceShakeAlgorithm(numConstraints, constraintIndices, constraintDistances, (RealOpenMM)integrator.getConstraintTolerance());
         dynamics->setReferenceConstraintAlgorithm(constraints);
         prevStepSize = stepSize;
     }
@@ -667,7 +667,7 @@ void ReferenceIntegrateLangevinStepKernel::execute(OpenMMContextImpl& context, c
 				static_cast<RealOpenMM>(stepSize), 
 				static_cast<RealOpenMM>(tau), 
 				static_cast<RealOpenMM>(temperature) );
-        constraints = new ReferenceShakeAlgorithm(numConstraints, constraintIndices, constraintDistances, integrator.getConstraintTolerance());
+        constraints = new ReferenceShakeAlgorithm(numConstraints, constraintIndices, constraintDistances, (RealOpenMM)integrator.getConstraintTolerance());
         dynamics->setReferenceConstraintAlgorithm(constraints);
         prevTemp = temperature;
         prevFriction = friction;
@@ -727,7 +727,7 @@ void ReferenceIntegrateBrownianStepKernel::execute(OpenMMContextImpl& context, c
 				static_cast<RealOpenMM>(stepSize), 
 				static_cast<RealOpenMM>(friction), 
 				static_cast<RealOpenMM>(temperature) );
-        constraints = new ReferenceShakeAlgorithm(numConstraints, constraintIndices, constraintDistances, integrator.getConstraintTolerance());
+        constraints = new ReferenceShakeAlgorithm(numConstraints, constraintIndices, constraintDistances, (RealOpenMM)integrator.getConstraintTolerance());
         dynamics->setReferenceConstraintAlgorithm(constraints);
         prevTemp = temperature;
         prevFriction = friction;

platforms/reference/src/SimTKReference/ReferenceLincsAlgorithm.cpp

@@ -136,7 +136,7 @@ void ReferenceLincsAlgorithm::initialize(int numberOfAtoms, RealOpenMM* inverseM
     }
     _linkedConstraints.resize(_numberOfConstraints);
     for (int atom = 0; atom < numberOfAtoms; atom++) {
-        for (int i = 0; i < atomConstraints[atom].size(); i++)
+        for (int i = 0; i < (int)atomConstraints[atom].size(); i++)
             for (int j = 0; j < i; j++) {
                 int c1 = atomConstraints[atom][i];
                 int c2 = atomConstraints[atom][j];
@@ -169,7 +169,7 @@ void ReferenceLincsAlgorithm::solveMatrix() {
         vector<RealOpenMM>& rhs2 = (iteration%2 == 0 ? _rhs2 : _rhs1);
         for (int c1 = 0; c1 < _numberOfConstraints; c1++) {
             rhs2[c1] = zero;
-            for (int j = 0; j < _linkedConstraints[c1].size(); j++) {
+            for (int j = 0; j < (int)_linkedConstraints[c1].size(); j++) {
                 int c2 = _linkedConstraints[c1][j];
                 rhs2[c1] += _couplingMatrix[c1][j]*rhs1[c2];
             }
@@ -195,12 +195,12 @@ void ReferenceLincsAlgorithm::updateAtomPositions(int numberOfAtoms, RealOpenMM*
                    _sMatrix[i]*_solution[i]*_constraintDir[i][2]);
         int atom1 = _atomIndices[i][0];
         int atom2 = _atomIndices[i][1];
-        atomCoordinates[atom1][0] -= inverseMasses[atom1]*delta[0];
-        atomCoordinates[atom1][1] -= inverseMasses[atom1]*delta[1];
-        atomCoordinates[atom1][2] -= inverseMasses[atom1]*delta[2];
-        atomCoordinates[atom2][0] += inverseMasses[atom2]*delta[0];
-        atomCoordinates[atom2][1] += inverseMasses[atom2]*delta[1];
-        atomCoordinates[atom2][2] += inverseMasses[atom2]*delta[2];
+        atomCoordinates[atom1][0] -= (RealOpenMM)(inverseMasses[atom1]*delta[0]);
+        atomCoordinates[atom1][1] -= (RealOpenMM)(inverseMasses[atom1]*delta[1]);
+        atomCoordinates[atom1][2] -= (RealOpenMM)(inverseMasses[atom1]*delta[2]);
+        atomCoordinates[atom2][0] += (RealOpenMM)(inverseMasses[atom2]*delta[0]);
+        atomCoordinates[atom2][1] += (RealOpenMM)(inverseMasses[atom2]*delta[1]);
+        atomCoordinates[atom2][2] += (RealOpenMM)(inverseMasses[atom2]*delta[2]);
     }
 }
 
@@ -246,7 +246,7 @@ int ReferenceLincsAlgorithm::apply( int numberOfAtoms, RealOpenMM** atomCoordina
        _constraintDir[i] = Vec3(atomCoordinatesP[atom1][0]-atomCoordinatesP[atom2][0],
                                 atomCoordinatesP[atom1][1]-atomCoordinatesP[atom2][1],
                                 atomCoordinatesP[atom1][2]-atomCoordinatesP[atom2][2]);
-       RealOpenMM invLength = one/SQRT(_constraintDir[i].dot(_constraintDir[i]));
+       RealOpenMM invLength = (RealOpenMM)(1/SQRT((RealOpenMM)_constraintDir[i].dot(_constraintDir[i])));
        _constraintDir[i][0] *= invLength;
        _constraintDir[i][1] *= invLength;
        _constraintDir[i][2] *= invLength;
@@ -255,15 +255,15 @@ int ReferenceLincsAlgorithm::apply( int numberOfAtoms, RealOpenMM** atomCoordina
 
    // Build the coupling matrix.
 
-   for (int c1 = 0; c1 < _couplingMatrix.size(); c1++) {
+   for (int c1 = 0; c1 < (int)_couplingMatrix.size(); c1++) {
        Vec3& dir1 = _constraintDir[c1];
-       for (int j = 0; j < _couplingMatrix[c1].size(); j++) {
+       for (int j = 0; j < (int)_couplingMatrix[c1].size(); j++) {
            int c2 = _linkedConstraints[c1][j];
            Vec3& dir2 = _constraintDir[c2];
            if (_atomIndices[c1][0] == _atomIndices[c2][0] || _atomIndices[c1][1] == _atomIndices[c2][1])
-               _couplingMatrix[c1][j] = -inverseMasses[_atomIndices[c1][0]]*_sMatrix[c1]*dir1.dot(dir2)*_sMatrix[c2];
+               _couplingMatrix[c1][j] = (RealOpenMM)(-inverseMasses[_atomIndices[c1][0]]*_sMatrix[c1]*dir1.dot(dir2)*_sMatrix[c2]);
            else
-               _couplingMatrix[c1][j] = inverseMasses[_atomIndices[c1][1]]*_sMatrix[c1]*dir1.dot(dir2)*_sMatrix[c2];
+               _couplingMatrix[c1][j] = (RealOpenMM)(inverseMasses[_atomIndices[c1][1]]*_sMatrix[c1]*dir1.dot(dir2)*_sMatrix[c2]);
        }
    }
 
@@ -280,7 +280,7 @@ int ReferenceLincsAlgorithm::apply( int numberOfAtoms, RealOpenMM** atomCoordina
        Vec3 delta(atomCoordinatesP[atom1][0]-atomCoordinatesP[atom2][0],
                   atomCoordinatesP[atom1][1]-atomCoordinatesP[atom2][1],
                   atomCoordinatesP[atom1][2]-atomCoordinatesP[atom2][2]);
-       RealOpenMM p2 = two*_distance[i]*_distance[i]-delta.dot(delta);
+       RealOpenMM p2 = (RealOpenMM)(two*_distance[i]*_distance[i]-delta.dot(delta));
        if (p2 < zero)
            p2 = zero;
        _rhs1[i] = _solution[i] = _sMatrix[i]*(_distance[i]-SQRT(p2));

platforms/reference/src/gbsa/CpuGBVI.cpp

@@ -501,7 +501,7 @@ RealOpenMM e3 = -partialChargeI2*partialCharges[atomJ]*Sgb( t )/deltaR[Reference
    (void) fflush( logFile );
 #endif
 
-   RealOpenMM conversion = CAL_TO_JOULE*gbviParameters->getTau();  
+   RealOpenMM conversion = (RealOpenMM)(CAL_TO_JOULE*gbviParameters->getTau());  
    return (conversion*energy);
  
 }
@@ -776,7 +776,7 @@ if( 0 ){
 
    // convert from cal to Joule & apply prefactor tau = (1/diel_solute - 1/diel_solvent)
 
-   RealOpenMM conversion = CAL_TO_JOULE*gbviParameters->getTau();  
+   RealOpenMM conversion = (RealOpenMM)(CAL_TO_JOULE*gbviParameters->getTau());  
    for( int atomI = 0; atomI < numberOfAtoms; atomI++ ){
       inputForces[atomI][0] = conversion*forces[atomI][0];
       inputForces[atomI][1] = conversion*forces[atomI][1];

platforms/reference/src/gbsa/CpuObc.cpp

@@ -603,7 +603,7 @@ int CpuObc::computeBornEnergyForces( RealOpenMM* bornRadii, RealOpenMM** atomCoo
 
    // cal to Joule conversion
 
-   RealOpenMM conversion = 0.4184;  
+   RealOpenMM conversion = (RealOpenMM)0.4184;  
    for( int atomI = 0; atomI < numberOfAtoms; atomI++ ){
       inputForces[atomI][0] += conversion*forces[atomI][0];
       inputForces[atomI][1] += conversion*forces[atomI][1];
@@ -1221,7 +1221,7 @@ if( logFile && atomI >= 0 ){
 
    }
 
-   RealOpenMM conversion = 0.4184;  
+   RealOpenMM conversion = (RealOpenMM)0.4184;  
    for( int atomI = 0; atomI < numberOfAtoms; atomI++ ){
       forces[atomI][0] *= conversion;
       forces[atomI][1] *= conversion;