Added "const" and "restrict" to lots of kernel arguments to let the compiler do more optimizations

platforms/opencl/src/OpenCLBondedUtilities.cpp

@@ -154,12 +154,12 @@ void OpenCLBondedUtilities::initialize(const System& system) {
         const vector<int>& set = *iter;
         int setSize = set.size();
         stringstream s;
-        s<<"__kernel void computeBondedForces(__global float4* forceBuffers, __global float* energyBuffer, __global float4* posq";
+        s<<"__kernel void computeBondedForces(__global float4* restrict forceBuffers, __global float* restrict energyBuffer, __global const float4* restrict posq";
         for (int i = 0; i < setSize; i++) {
             int force = set[i];
             string indexType = "uint"+(indexWidth[force] == 1 ? "" : OpenCLExpressionUtilities::intToString(indexWidth[force]));
-            s<<", __global "<<indexType<<"* atomIndices"<<i;
-            s<<", __global "<<indexType<<"* bufferIndices"<<i;
+            s<<", __global const "<<indexType<<"* restrict atomIndices"<<i;
+            s<<", __global const "<<indexType<<"* restrict bufferIndices"<<i;
         }
         for (int i = 0; i < (int) arguments.size(); i++)
             s<<", __global "<<argTypes[i]<<"* customArg"<<(i+1);

platforms/opencl/src/OpenCLKernels.cpp

@@ -1739,7 +1739,7 @@ void OpenCLCalcCustomGBForceKernel::initialize(const System& system, const Custo
         tabulatedFunctions.push_back(new OpenCLArray<mm_float4>(cl, values.size()-1, "TabulatedFunction"));
         tabulatedFunctions[tabulatedFunctions.size()-1]->upload(f);
         cl.getNonbondedUtilities().addArgument(OpenCLNonbondedUtilities::ParameterInfo(arrayName, "float", 4, sizeof(cl_float4), tabulatedFunctions[tabulatedFunctions.size()-1]->getDeviceBuffer()));
-        tableArgs << ", __global float4* " << arrayName;
+        tableArgs << ", __global const float4* restrict " << arrayName;
     }
     if (force.getNumFunctions() > 0) {
         tabulatedFunctionParams = new OpenCLArray<mm_float4>(cl, tabulatedFunctionParamsVec.size(), "tabulatedFunctionParameters", false, CL_MEM_READ_ONLY);
@@ -1837,7 +1837,7 @@ void OpenCLCalcCustomGBForceKernel::initialize(const System& system, const Custo
         for (int i = 0; i < (int) params->getBuffers().size(); i++) {
             const OpenCLNonbondedUtilities::ParameterInfo& buffer = params->getBuffers()[i];
             string paramName = "params"+intToString(i+1);
-            extraArgs << ", __global " << buffer.getType() << "* global_" << paramName << ", __local " << buffer.getType() << "* local_" << paramName;
+            extraArgs << ", __global const " << buffer.getType() << "* restrict global_" << paramName << ", __local " << buffer.getType() << "* restrict local_" << paramName;
             loadLocal1 << "local_" << paramName << "[localAtomIndex] = " << paramName << "1;\n";
             loadLocal2 << "local_" << paramName << "[localAtomIndex] = global_" << paramName << "[j];\n";
             load1 << buffer.getType() << " " << paramName << "1 = global_" << paramName << "[atom1];\n";
@@ -1884,12 +1884,12 @@ void OpenCLCalcCustomGBForceKernel::initialize(const System& system, const Custo
         for (int i = 0; i < (int) params->getBuffers().size(); i++) {
             const OpenCLNonbondedUtilities::ParameterInfo& buffer = params->getBuffers()[i];
             string paramName = "params"+intToString(i+1);
-            extraArgs << ", __global " << buffer.getType() << "* " << paramName;
+            extraArgs << ", __global const " << buffer.getType() << "* restrict " << paramName;
         }
         for (int i = 0; i < (int) computedValues->getBuffers().size(); i++) {
             const OpenCLNonbondedUtilities::ParameterInfo& buffer = computedValues->getBuffers()[i];
             string valueName = "values"+intToString(i+1);
-            extraArgs << ", __global " << buffer.getType() << "* global_" << valueName;
+            extraArgs << ", __global " << buffer.getType() << "* restrict global_" << valueName;
             reductionSource << buffer.getType() << " local_" << valueName << ";\n";
         }
         reductionSource << "local_values" << computedValues->getParameterSuffix(0) << " = sum;\n";
@@ -1977,7 +1977,7 @@ void OpenCLCalcCustomGBForceKernel::initialize(const System& system, const Custo
         for (int i = 0; i < (int) params->getBuffers().size(); i++) {
             const OpenCLNonbondedUtilities::ParameterInfo& buffer = params->getBuffers()[i];
             string paramName = "params"+intToString(i+1);
-            extraArgs << ", __global " << buffer.getType() << "* global_" << paramName << ", __local " << buffer.getType() << "* local_" << paramName;
+            extraArgs << ", __global const " << buffer.getType() << "* restrict global_" << paramName << ", __local " << buffer.getType() << "* restrict local_" << paramName;
             loadLocal1 << "local_" << paramName << "[localAtomIndex] = " << paramName << "1;\n";
             loadLocal2 << "local_" << paramName << "[localAtomIndex] = global_" << paramName << "[j];\n";
             load1 << buffer.getType() << " " << paramName << "1 = global_" << paramName << "[atom1];\n";
@@ -1986,17 +1986,17 @@ void OpenCLCalcCustomGBForceKernel::initialize(const System& system, const Custo
         for (int i = 0; i < (int) computedValues->getBuffers().size(); i++) {
             const OpenCLNonbondedUtilities::ParameterInfo& buffer = computedValues->getBuffers()[i];
             string valueName = "values"+intToString(i+1);
-            extraArgs << ", __global " << buffer.getType() << "* global_" << valueName << ", __local " << buffer.getType() << "* local_" << valueName;
+            extraArgs << ", __global const " << buffer.getType() << "* restrict global_" << valueName << ", __local " << buffer.getType() << "* restrict local_" << valueName;
             loadLocal1 << "local_" << valueName << "[localAtomIndex] = " << valueName << "1;\n";
             loadLocal2 << "local_" << valueName << "[localAtomIndex] = global_" << valueName << "[j];\n";
             load1 << buffer.getType() << " " << valueName << "1 = global_" << valueName << "[atom1];\n";
             load2 << buffer.getType() << " " << valueName << "2 = local_" << valueName << "[atom2];\n";
         }
         if (useLong) {
-            extraArgs << ", __global long* derivBuffers";
+            extraArgs << ", __global long* restrict derivBuffers";
             for (int i = 0; i < force.getNumComputedValues(); i++) {
                 string index = intToString(i+1);
-                extraArgs << ", __local float* local_deriv" << index;
+                extraArgs << ", __local float* restrict local_deriv" << index;
                 clearLocal << "local_deriv" << index << "[localAtomIndex] = 0.0f;\n";
                 declare1 << "float deriv" << index << "_1 = 0.0f;\n";
                 load2 << "float deriv" << index << "_2 = 0.0f;\n";
@@ -2011,7 +2011,7 @@ void OpenCLCalcCustomGBForceKernel::initialize(const System& system, const Custo
             for (int i = 0; i < (int) energyDerivs->getBuffers().size(); i++) {
                 const OpenCLNonbondedUtilities::ParameterInfo& buffer = energyDerivs->getBuffers()[i];
                 string index = intToString(i+1);
-                extraArgs << ", __global " << buffer.getType() << "* derivBuffers" << index << ", __local " << buffer.getType() << "* local_deriv" << index;
+                extraArgs << ", __global " << buffer.getType() << "* restrict derivBuffers" << index << ", __local " << buffer.getType() << "* restrict local_deriv" << index;
                 clearLocal << "local_deriv" << index << "[localAtomIndex] = 0.0f;\n";
                 declare1 << buffer.getType() << " deriv" << index << "_1 = 0.0f;\n";
                 load2 << buffer.getType() << " deriv" << index << "_2 = 0.0f;\n";
@@ -2068,21 +2068,21 @@ void OpenCLCalcCustomGBForceKernel::initialize(const System& system, const Custo
         for (int i = 0; i < (int) params->getBuffers().size(); i++) {
             const OpenCLNonbondedUtilities::ParameterInfo& buffer = params->getBuffers()[i];
             string paramName = "params"+intToString(i+1);
-            extraArgs << ", __global " << buffer.getType() << "* " << paramName;
+            extraArgs << ", __global const " << buffer.getType() << "* restrict " << paramName;
         }
         for (int i = 0; i < (int) computedValues->getBuffers().size(); i++) {
             const OpenCLNonbondedUtilities::ParameterInfo& buffer = computedValues->getBuffers()[i];
             string valueName = "values"+intToString(i+1);
-            extraArgs << ", __global " << buffer.getType() << "* " << valueName;
+            extraArgs << ", __global const " << buffer.getType() << "* restrict " << valueName;
         }
         for (int i = 0; i < (int) energyDerivs->getBuffers().size(); i++) {
             const OpenCLNonbondedUtilities::ParameterInfo& buffer = energyDerivs->getBuffers()[i];
             string index = intToString(i+1);
-            extraArgs << ", __global " << buffer.getType() << "* derivBuffers" << index;
+            extraArgs << ", __global " << buffer.getType() << "* restrict derivBuffers" << index;
             compute << buffer.getType() << " deriv" << index << " = derivBuffers" << index << "[index];\n";
         }
         if (useLong) {
-            extraArgs << ", __global long* derivBuffersIn";
+            extraArgs << ", __global const long* restrict derivBuffersIn";
             for (int i = 0; i < energyDerivs->getNumParameters(); ++i)
                 reduce << "derivBuffers" << energyDerivs->getParameterSuffix(i, "[index]") <<
                         " = (1.0f/0xFFFFFFFF)*derivBuffersIn[index+PADDED_NUM_ATOMS*" << intToString(i) << "];\n";
@@ -2147,17 +2147,17 @@ void OpenCLCalcCustomGBForceKernel::initialize(const System& system, const Custo
         for (int i = 0; i < (int) params->getBuffers().size(); i++) {
             const OpenCLNonbondedUtilities::ParameterInfo& buffer = params->getBuffers()[i];
             string paramName = "params"+intToString(i+1);
-            extraArgs << ", __global " << buffer.getType() << "* " << paramName;
+            extraArgs << ", __global const " << buffer.getType() << "* restrict " << paramName;
         }
         for (int i = 0; i < (int) computedValues->getBuffers().size(); i++) {
             const OpenCLNonbondedUtilities::ParameterInfo& buffer = computedValues->getBuffers()[i];
             string valueName = "values"+intToString(i+1);
-            extraArgs << ", __global " << buffer.getType() << "* " << valueName;
+            extraArgs << ", __global const " << buffer.getType() << "* restrict " << valueName;
         }
         for (int i = 0; i < (int) energyDerivs->getBuffers().size(); i++) {
             const OpenCLNonbondedUtilities::ParameterInfo& buffer = energyDerivs->getBuffers()[i];
             string index = intToString(i+1);
-            extraArgs << ", __global " << buffer.getType() << "* derivBuffers" << index;
+            extraArgs << ", __global " << buffer.getType() << "* restrict derivBuffers" << index;
             compute << buffer.getType() << " deriv" << index << " = derivBuffers" << index << "[index];\n";
         }
         map<string, string> variables;
@@ -2866,12 +2866,12 @@ void OpenCLCalcCustomHbondForceKernel::initialize(const System& system, const Cu
         vector<mm_float4> f = OpenCLExpressionUtilities::computeFunctionCoefficients(values, min, max);
         tabulatedFunctions.push_back(new OpenCLArray<mm_float4>(cl, values.size()-1, "TabulatedFunction"));
         tabulatedFunctions[tabulatedFunctions.size()-1]->upload(f);
-        tableArgs << ", __global float4* " << arrayName;
+        tableArgs << ", __global const float4* restrict " << arrayName;
     }
     if (force.getNumFunctions() > 0) {
         tabulatedFunctionParams = new OpenCLArray<mm_float4>(cl, tabulatedFunctionParamsVec.size(), "tabulatedFunctionParameters", false, CL_MEM_READ_ONLY);
         tabulatedFunctionParams->upload(tabulatedFunctionParamsVec);
-        tableArgs << ", __global float4* functionParams";
+        tableArgs << ", __global const float4* restrict functionParams";
     }
 
     // Record information about parameters.
@@ -2973,15 +2973,15 @@ void OpenCLCalcCustomHbondForceKernel::initialize(const System& system, const Cu
     // Next it needs to load parameters from global memory.
 
     if (force.getNumGlobalParameters() > 0)
-        extraArgs << ", __global float* globals";
+        extraArgs << ", __global const float* restrict globals";
     for (int i = 0; i < (int) donorParams->getBuffers().size(); i++) {
         const OpenCLNonbondedUtilities::ParameterInfo& buffer = donorParams->getBuffers()[i];
-        extraArgs << ", __global "+buffer.getType()+"* donor"+buffer.getName();
+        extraArgs << ", __global const "+buffer.getType()+"* restrict donor"+buffer.getName();
         addDonorAndAcceptorCode(computeDonor, computeAcceptor, buffer.getType()+" donorParams"+intToString(i+1)+" = donor"+buffer.getName()+"[index];\n");
     }
     for (int i = 0; i < (int) acceptorParams->getBuffers().size(); i++) {
         const OpenCLNonbondedUtilities::ParameterInfo& buffer = acceptorParams->getBuffers()[i];
-        extraArgs << ", __global "+buffer.getType()+"* acceptor"+buffer.getName();
+        extraArgs << ", __global const "+buffer.getType()+"* restrict acceptor"+buffer.getName();
         addDonorAndAcceptorCode(computeDonor, computeAcceptor, buffer.getType()+" acceptorParams"+intToString(i+1)+" = acceptor"+buffer.getName()+"[index];\n");
     }
 

platforms/opencl/src/OpenCLNonbondedUtilities.cpp

@@ -399,9 +399,9 @@ cl::Kernel OpenCLNonbondedUtilities::createInteractionKernel(const string& sourc
     replacements["ATOM_PARAMETER_DATA"] = localData.str();
     stringstream args;
     for (int i = 0; i < (int) params.size(); i++) {
-        args << ", __global ";
+        args << ", __global const ";
         args << params[i].getType();
-        args << "* global_";
+        args << "* restrict global_";
         args << params[i].getName();
     }
     for (int i = 0; i < (int) arguments.size(); i++) {
@@ -411,11 +411,11 @@ cl::Kernel OpenCLNonbondedUtilities::createInteractionKernel(const string& sourc
         }
         else {
             if ((arguments[i].getMemory().getInfo<CL_MEM_FLAGS>() & CL_MEM_READ_ONLY) == 0)
-                args << ", __global ";
+                args << ", __global const ";
             else
                 args << ", __constant ";
             args << arguments[i].getType();
-            args << "* ";
+            args << "* restrict ";
             args << arguments[i].getName();
         }
     }

platforms/opencl/src/kernels/andersenThermostat.cl

@@ -2,8 +2,8 @@
  * Apply the Andersen thermostat to adjust particle velocities.
  */
 
-__kernel void applyAndersenThermostat(float collisionFrequency, float kT, __global float4* velm, __global float2* stepSize, __global float4* random,
-        unsigned int randomIndex, __global int* atomGroups) {
+__kernel void applyAndersenThermostat(float collisionFrequency, float kT, __global float4* velm, __global const float2* restrict stepSize, __global const float4* restrict random,
+        unsigned int randomIndex, __global const int* restrict atomGroups) {
     float collisionProbability = 1.0f-exp(-collisionFrequency*stepSize[0].y);
     float randomRange = erf(collisionProbability/sqrt(2.0f));
     for (int index = get_global_id(0); index < NUM_ATOMS; index += get_global_size(0)) {

platforms/opencl/src/kernels/brownian.cl

@@ -2,8 +2,8 @@
  * Perform the first step of Brownian integration.
  */
 
-__kernel void integrateBrownianPart1(float tauDeltaT, float noiseAmplitude, __global float4* force,
-        __global float4* posDelta, __global float4* velm, __global float4* random, unsigned int randomIndex) {
+__kernel void integrateBrownianPart1(float tauDeltaT, float noiseAmplitude, __global const float4* restrict force,
+        __global float4* restrict posDelta, __global const float4* restrict velm, __global const float4* restrict random, unsigned int randomIndex) {
     randomIndex += get_global_id(0);
     for (int index = get_global_id(0); index < NUM_ATOMS; index += get_global_size(0)) {
         float invMass = velm[index].w;
@@ -16,7 +16,7 @@ __kernel void integrateBrownianPart1(float tauDeltaT, float noiseAmplitude, __gl
  * Perform the second step of Brownian integration.
  */
 
-__kernel void integrateBrownianPart2(float oneOverDeltaT, __global float4* posq, __global float4* velm, __global float4* posDelta) {
+__kernel void integrateBrownianPart2(float oneOverDeltaT, __global float4* posq, __global float4* velm, __global const float4* restrict posDelta) {
     for (int index = get_global_id(0); index < NUM_ATOMS; index += get_global_size(0)) {
         float4 delta = posDelta[index];
         velm[index].xyz = oneOverDeltaT*delta.xyz;

platforms/opencl/src/kernels/ccma.cl

 /**
  * Compute the direction each constraint is pointing in.  This is called once at the beginning of constraint evaluation.
  */
-__kernel void computeConstraintDirections(__global int2* constraintAtoms, __global float4* constraintDistance, __global float4* atomPositions) {
+__kernel void computeConstraintDirections(__global const int2* restrict constraintAtoms, __global float4* restrict constraintDistance, __global const float4* restrict atomPositions) {
     for (int index = get_global_id(0); index < NUM_CONSTRAINTS; index += get_global_size(0)) {
         // Compute the direction for this constraint.
 
@@ -19,8 +19,8 @@ __kernel void computeConstraintDirections(__global int2* constraintAtoms, __glob
 /**
  * Compute the force applied by each constraint.
  */
-__kernel void computeConstraintForce(__global int2* constraintAtoms, __global float4* constraintDistance, __global float4* atomPositions,
-        __global float* reducedMass, __global float* delta1, __global int* converged, float tol, int iteration) {
+__kernel void computeConstraintForce(__global const int2* restrict constraintAtoms, __global const float4* restrict constraintDistance, __global const float4* restrict atomPositions,
+        __global const float* restrict reducedMass, __global float* restrict delta1, __global int* restrict converged, float tol, int iteration) {
     __local int groupConverged;
     if (converged[1-iteration%2]) {
         if (get_global_id(0) == 0)
@@ -58,8 +58,8 @@ __kernel void computeConstraintForce(__global int2* constraintAtoms, __global fl
 /**
  * Multiply the vector of constraint forces by the constraint matrix.
  */
-__kernel void multiplyByConstraintMatrix(__global float* delta1, __global float* delta2, __global int* constraintMatrixColumn,
-        __global float* constraintMatrixValue, __global int* converged, int iteration) {
+__kernel void multiplyByConstraintMatrix(__global const float* restrict delta1, __global float* restrict delta2, __global const int* restrict constraintMatrixColumn,
+        __global const float* restrict constraintMatrixValue, __global const int* restrict converged, int iteration) {
     if (converged[iteration%2])
         return; // The constraint iteration has already converged.
 
@@ -81,8 +81,8 @@ __kernel void multiplyByConstraintMatrix(__global float* delta1, __global float*
 /**
  * Update the atom positions based on constraint forces.
  */
-__kernel void updateAtomPositions(__global int* numAtomConstraints, __global int* atomConstraints, __global float4* constraintDistance,
-        __global float4* atomPositions, __global float4* velm, __global float* delta1, __global float* delta2, __global int* converged, int iteration) {
+__kernel void updateAtomPositions(__global const int* restrict numAtomConstraints, __global const int* restrict atomConstraints, __global const float4* restrict constraintDistance,
+        __global float4* restrict atomPositions, __global const float4* restrict velm, __global const float* restrict delta1, __global const float* restrict delta2, __global int* restrict converged, int iteration) {
     if (get_global_id(0) == 0)
         converged[1-iteration%2] = 1;
     if (converged[iteration%2])

platforms/opencl/src/kernels/compact.cl

@@ -56,7 +56,7 @@ unsigned int sumReduce128(__local unsigned int* arr) {
     return arr[0];
 }
 
-__kernel void countElts(__global unsigned int* dgBlockCounts, __global unsigned int* dgValid, const unsigned int len, __local unsigned int* dsCount) {
+__kernel void countElts(__global unsigned int* restrict dgBlockCounts, __global const unsigned int* restrict dgValid, const unsigned int len, __local unsigned int* restrict dsCount) {
     dsCount[get_local_id(0)] = 0;
     unsigned int ub;
     const unsigned int eltsPerBlock = len/get_num_groups(0) + ((len % get_num_groups(0)) ? 1 : 0);
@@ -110,9 +110,9 @@ int compactSIMDPrefixSum(__local const unsigned int* dsData, __local const unsig
     return numValid;
 }
 
-__kernel void moveValidElementsStaged(__global unsigned int* dgData, __global unsigned int* dgCompact, __global unsigned int* dgValid,
-            __global unsigned int* dgBlockCounts, unsigned int len, __global unsigned int* dNumValidElements,
-            __local unsigned int* inBlock, __local unsigned int* validBlock, __local unsigned int* compactBlock) {
+__kernel void moveValidElementsStaged(__global const unsigned int* restrict dgData, __global unsigned int* restrict dgCompact, __global const unsigned int* restrict dgValid,
+            __global const unsigned int* restrict dgBlockCounts, unsigned int len, __global unsigned int* restrict dNumValidElements,
+            __local unsigned int* restrict inBlock, __local unsigned int* restrict validBlock, __local unsigned int* restrict compactBlock) {
     __local unsigned int dsLocalIndex[256];
     int blockOutOffset=0;
     // Sum up the blockCounts before us to find our offset

platforms/opencl/src/kernels/customGBEnergyN2_cpu.cl

@@ -6,11 +6,11 @@
  * Compute a force based on pair interactions.
  */
 
-__kernel void computeN2Energy(__global float4* forceBuffers, __global float* energyBuffer, __local float4* local_force,
-	__global float4* posq, __local float4* local_posq, __global unsigned int* exclusions, __global unsigned int* exclusionIndices,
-        __global unsigned int* exclusionRowIndices, __local float4* tempBuffer,
+__kernel void computeN2Energy(__global float4* restrict forceBuffers, __global float* restrict energyBuffer, __local float4* restrict local_force,
+	__global const float4* restrict posq, __local float4* restrict local_posq, __global const unsigned int* restrict exclusions, __global const unsigned int* restrict exclusionIndices,
+        __global const unsigned int* restrict exclusionRowIndices, __local float4* restrict tempBuffer,
 #ifdef USE_CUTOFF
-        __global ushort2* tiles, __global unsigned int* interactionCount, float4 periodicBoxSize, float4 invPeriodicBoxSize, unsigned int maxTiles, __global unsigned int* interactionFlags
+        __global const ushort2* restrict tiles, __global const unsigned int* restrict interactionCount, float4 periodicBoxSize, float4 invPeriodicBoxSize, unsigned int maxTiles, __global const unsigned int* restrict interactionFlags
 #else
         unsigned int numTiles
 #endif

platforms/opencl/src/kernels/customGBEnergyN2_default.cl

@@ -7,11 +7,11 @@
  */
 
 __kernel __attribute__((reqd_work_group_size(WORK_GROUP_SIZE, 1, 1)))
-void computeN2Energy(__global float4* forceBuffers, __global float* energyBuffer, __local float4* local_force,
-	__global float4* posq, __local float4* local_posq, __global unsigned int* exclusions, __global unsigned int* exclusionIndices,
-        __global unsigned int* exclusionRowIndices, __local float4* tempForceBuffer,
+void computeN2Energy(__global float4* restrict forceBuffers, __global float* restrict energyBuffer, __local float4* restrict local_force,
+	__global const float4* restrict posq, __local float4* restrict local_posq, __global const unsigned int* restrict exclusions, __global const unsigned int* restrict exclusionIndices,
+        __global const unsigned int* restrict exclusionRowIndices, __local float4* restrict tempForceBuffer,
 #ifdef USE_CUTOFF
-        __global ushort2* tiles, __global unsigned int* interactionCount, float4 periodicBoxSize, float4 invPeriodicBoxSize, unsigned int maxTiles
+        __global const ushort2* restrict tiles, __global const unsigned int* restrict interactionCount, float4 periodicBoxSize, float4 invPeriodicBoxSize, unsigned int maxTiles
 #else
         unsigned int numTiles
 #endif

platforms/opencl/src/kernels/customGBEnergyN2_nvidia.cl

@@ -14,15 +14,15 @@
  */
 __kernel void computeN2Energy(
 #ifdef SUPPORTS_64_BIT_ATOMICS
-        __global long* forceBuffers,
+        __global long* restrict forceBuffers,
 #else
-        __global float4* forceBuffers,
+        __global float4* restrict forceBuffers,
 #endif
-        __global float* energyBuffer, __local float4* local_force,
-	__global float4* posq, __local float4* local_posq, __global unsigned int* exclusions, __global unsigned int* exclusionIndices,
-        __global unsigned int* exclusionRowIndices, __local float4* tempBuffer,
+        __global float* restrict energyBuffer, __local float4* restrict local_force,
+	__global const float4* restrict posq, __local float4* restrict local_posq, __global const unsigned int* restrict exclusions, __global const unsigned int* restrict exclusionIndices,
+        __global const unsigned int* restrict exclusionRowIndices, __local float4* restrict tempBuffer,
 #ifdef USE_CUTOFF
-        __global ushort2* tiles, __global unsigned int* interactionCount, float4 periodicBoxSize, float4 invPeriodicBoxSize, unsigned int maxTiles, __global unsigned int* interactionFlags
+        __global const ushort2* restrict tiles, __global const unsigned int* restrict interactionCount, float4 periodicBoxSize, float4 invPeriodicBoxSize, unsigned int maxTiles, __global const unsigned int* restrict interactionFlags
 #else
         unsigned int numTiles
 #endif

platforms/opencl/src/kernels/customGBEnergyPerParticle.cl

@@ -8,7 +8,7 @@
  * Reduce the derivatives computed in the N^2 energy kernel, and compute all per-particle energy terms.
  */
 
-__kernel void computePerParticleEnergy(int bufferSize, int numBuffers, __global float4* forceBuffers, __global float* energyBuffer, __global float4* posq
+__kernel void computePerParticleEnergy(int bufferSize, int numBuffers, __global float4* restrict forceBuffers, __global float* restrict energyBuffer, __global const float4* restrict posq
         PARAMETER_ARGUMENTS) {
     float energy = 0.0f;
     unsigned int index = get_global_id(0);

platforms/opencl/src/kernels/customGBGradientChainRule.cl

@@ -2,7 +2,7 @@
  * Compute chain rule terms for computed values that depend explicitly on particle coordinates.
  */
 
-__kernel void computeGradientChainRuleTerms(__global float4* forceBuffers, __global float4* posq
+__kernel void computeGradientChainRuleTerms(__global float4* restrict forceBuffers, __global const float4* restrict posq
         PARAMETER_ARGUMENTS) {
     unsigned int index = get_global_id(0);
     while (index < NUM_ATOMS) {

platforms/opencl/src/kernels/customGBValueN2_cpu.cl

@@ -4,11 +4,11 @@
  * Compute a value based on pair interactions.
  */
 
-__kernel void computeN2Value(__global float4* posq, __local float4* local_posq, __global unsigned int* exclusions,
-        __global unsigned int* exclusionIndices, __global unsigned int* exclusionRowIndices, __global float* global_value, __local float* local_value,
-        __local float* tempBuffer,
+__kernel void computeN2Value(__global const float4* restrict posq, __local float4* restrict local_posq, __global const unsigned int* restrict exclusions,
+        __global const unsigned int* restrict exclusionIndices, __global const unsigned int* restrict exclusionRowIndices, __global float* restrict global_value, __local float* restrict local_value,
+        __local float* restrict tempBuffer,
 #ifdef USE_CUTOFF
-        __global ushort2* tiles, __global unsigned int* interactionCount, float4 periodicBoxSize, float4 invPeriodicBoxSize, unsigned int maxTiles, __global unsigned int* interactionFlags
+        __global const ushort2* restrict tiles, __global const unsigned int* restrict interactionCount, float4 periodicBoxSize, float4 invPeriodicBoxSize, unsigned int maxTiles, __global const unsigned int* restrict interactionFlags
 #else
         unsigned int numTiles
 #endif

platforms/opencl/src/kernels/customGBValueN2_default.cl

@@ -5,11 +5,11 @@
  */
 
 __kernel __attribute__((reqd_work_group_size(WORK_GROUP_SIZE, 1, 1)))
-void computeN2Value(__global float4* posq, __local float4* local_posq, __global unsigned int* exclusions,
-        __global unsigned int* exclusionIndices, __global unsigned int* exclusionRowIndices, __global float* global_value, __local float* local_value,
-        __local float* tempBuffer,
+void computeN2Value(__global const float4* restrict posq, __local float4* restrict local_posq, __global const unsigned int* restrict exclusions,
+        __global const unsigned int* restrict exclusionIndices, __global const unsigned int* restrict exclusionRowIndices, __global float* restrict global_value, __local float* restrict local_value,
+        __local float* restrict tempBuffer,
 #ifdef USE_CUTOFF
-        __global ushort2* tiles, __global unsigned int* interactionCount, float4 periodicBoxSize, float4 invPeriodicBoxSize, unsigned int maxTiles
+        __global const ushort2* restrict tiles, __global const unsigned int* restrict interactionCount, float4 periodicBoxSize, float4 invPeriodicBoxSize, unsigned int maxTiles
 #else
         unsigned int numTiles
 #endif

platforms/opencl/src/kernels/customGBValueN2_nvidia.cl

@@ -7,16 +7,16 @@
 /**
  * Compute a value based on pair interactions.
  */
-__kernel void computeN2Value(__global float4* posq, __local float4* local_posq, __global unsigned int* exclusions,
-        __global unsigned int* exclusionIndices, __global unsigned int* exclusionRowIndices,
+__kernel void computeN2Value(__global const float4* restrict posq, __local float4* restrict local_posq, __global const unsigned int* restrict exclusions,
+        __global const unsigned int* restrict exclusionIndices, __global const unsigned int* restrict exclusionRowIndices,
 #ifdef SUPPORTS_64_BIT_ATOMICS
-        __global long* global_value,
+        __global long* restrict global_value,
 #else
-        __global float* global_value,
+        __global float* restrict global_value,
 #endif
-        __local float* local_value, __local float* tempBuffer,
+        __local float* restrict local_value, __local float* restrict tempBuffer,
 #ifdef USE_CUTOFF
-        __global ushort2* tiles, __global unsigned int* interactionCount, float4 periodicBoxSize, float4 invPeriodicBoxSize, unsigned int maxTiles, __global unsigned int* interactionFlags
+        __global const ushort2* restrict tiles, __global const unsigned int* restrict interactionCount, float4 periodicBoxSize, float4 invPeriodicBoxSize, unsigned int maxTiles, __global const unsigned int* restrict interactionFlags
 #else
         unsigned int numTiles
 #endif

platforms/opencl/src/kernels/customHbondForce.cl

@@ -55,8 +55,8 @@ float4 computeCross(float4 vec1, float4 vec2) {
 /**
  * Compute forces on donors.
  */
-__kernel void computeDonorForces(__global float4* forceBuffers, __global float* energyBuffer, __global float4* posq, __global int4* exclusions,
-        __global int4* donorAtoms, __global int4* acceptorAtoms, __global int4* donorBufferIndices, __local float4* posBuffer, float4 periodicBoxSize, float4 invPeriodicBoxSize
+__kernel void computeDonorForces(__global float4* restrict forceBuffers, __global float* restrict energyBuffer, __global const float4* restrict posq, __global const int4* restrict exclusions,
+        __global const int4* restrict donorAtoms, __global const int4* restrict acceptorAtoms, __global const int4* restrict donorBufferIndices, __local float4* posBuffer, float4 periodicBoxSize, float4 invPeriodicBoxSize
         PARAMETER_ARGUMENTS) {
     float energy = 0.0f;
     float4 f1 = (float4) 0;
@@ -141,8 +141,8 @@ __kernel void computeDonorForces(__global float4* forceBuffers, __global float*
 /**
  * Compute forces on acceptors.
  */
-__kernel void computeAcceptorForces(__global float4* forceBuffers, __global float* energyBuffer, __global float4* posq, __global int4* exclusions,
-        __global int4* donorAtoms, __global int4* acceptorAtoms, __global int4* acceptorBufferIndices, __local float4* posBuffer, float4 periodicBoxSize, float4 invPeriodicBoxSize
+__kernel void computeAcceptorForces(__global float4* restrict forceBuffers, __global float* restrict energyBuffer, __global const float4* restrict posq, __global const int4* restrict exclusions,
+        __global const int4* restrict donorAtoms, __global const int4* restrict acceptorAtoms, __global const int4* restrict acceptorBufferIndices, __local float4* restrict posBuffer, float4 periodicBoxSize, float4 invPeriodicBoxSize
         PARAMETER_ARGUMENTS) {
     float4 f1 = (float4) 0;
     float4 f2 = (float4) 0;

platforms/opencl/src/kernels/ewald.cl

@@ -7,7 +7,7 @@ float2 multofFloat2(float2 a, float2 b) {
  * Precompute the cosine and sine sums which appear in each force term.
  */
 
-__kernel void calculateEwaldCosSinSums(__global float* energyBuffer, __global float4* posq, __global float2* cosSinSum, float4 reciprocalPeriodicBoxSize, float reciprocalCoefficient) {
+__kernel void calculateEwaldCosSinSums(__global float* restrict energyBuffer, __global const float4* restrict posq, __global float2* restrict cosSinSum, float4 reciprocalPeriodicBoxSize, float reciprocalCoefficient) {
     const unsigned int ksizex = 2*KMAX_X-1;
     const unsigned int ksizey = 2*KMAX_Y-1;
     const unsigned int ksizez = 2*KMAX_Z-1;
@@ -58,7 +58,7 @@ __kernel void calculateEwaldCosSinSums(__global float* energyBuffer, __global fl
  * previous routine.
  */
 
-__kernel void calculateEwaldForces(__global float4* forceBuffers, __global float4* posq, __global float2* cosSinSum, float4 reciprocalPeriodicBoxSize, float reciprocalCoefficient) {
+__kernel void calculateEwaldForces(__global float4* restrict forceBuffers, __global const float4* restrict posq, __global const float2* restrict cosSinSum, float4 reciprocalPeriodicBoxSize, float reciprocalCoefficient) {
     unsigned int atom = get_global_id(0);
     while (atom < NUM_ATOMS) {
         float4 force = forceBuffers[atom];

platforms/opencl/src/kernels/fft.cl

@@ -6,7 +6,8 @@ float2 multiplyComplex(float2 c1, float2 c2) {
  * Perform a 1D FFT on each row along one axis.
  */
 
-__kernel void execFFT(__global float2* in, __global float2* out, float sign, __local float2* w, __local float2* data0, __local float2* data1) {
+__kernel void execFFT(__global const float2* restrict in, __global float2* restrict out, float sign, __local float2* restrict w,
+        __local float2* restrict data0, __local float2* restrict data1) {
     for (int i = get_local_id(0); i < ZSIZE; i += get_local_size(0))
         w[i] = (float2) (cos(-sign*i*2*M_PI/ZSIZE), sin(-sign*i*2*M_PI/ZSIZE));
     barrier(CLK_LOCAL_MEM_FENCE);

platforms/opencl/src/kernels/findInteractingBlocks.cl

@@ -8,7 +8,7 @@
 /**
  * Find a bounding box for the atoms in each block.
  */
-__kernel void findBlockBounds(int numAtoms, float4 periodicBoxSize, float4 invPeriodicBoxSize, __global float4* posq, __global float4* blockCenter, __global float4* blockBoundingBox, __global unsigned int* interactionCount) {
+__kernel void findBlockBounds(int numAtoms, float4 periodicBoxSize, float4 invPeriodicBoxSize, __global const float4* restrict posq, __global float4* restrict blockCenter, __global float4* restrict blockBoundingBox, __global unsigned int* restrict interactionCount) {
     int index = get_global_id(0);
     int base = index*TILE_SIZE;
     while (base < numAtoms) {
@@ -47,7 +47,7 @@ __kernel void findBlockBounds(int numAtoms, float4 periodicBoxSize, float4 invPe
  */
 void storeInteractionData(__local ushort2* buffer, __local int* valid, __local short* sum, __local ushort2* temp, __local int* baseIndex,
             __global unsigned int* interactionCount, __global ushort2* interactingTiles, float cutoffSquared, float4 periodicBoxSize,
-            float4 invPeriodicBoxSize, __global float4* posq, __global float4* blockCenter, __global float4* blockBoundingBox, unsigned int maxTiles) {
+            float4 invPeriodicBoxSize, __global const float4* posq, __global const float4* blockCenter, __global const float4* blockBoundingBox, unsigned int maxTiles) {
     // The buffer is full, so we need to compact it and write out results.  Start by doing a parallel prefix sum.
 
     for (int i = get_local_id(0); i < BUFFER_SIZE; i += GROUP_SIZE)
@@ -144,9 +144,9 @@ void storeInteractionData(__local ushort2* buffer, __local int* valid, __local s
  * Compare the bounding boxes for each pair of blocks.  If they are sufficiently far apart,
  * mark them as non-interacting.
  */
-__kernel void findBlocksWithInteractions(float cutoffSquared, float4 periodicBoxSize, float4 invPeriodicBoxSize, __global float4* blockCenter,
-        __global float4* blockBoundingBox, __global unsigned int* interactionCount, __global ushort2* interactingTiles,
-        __global unsigned int* interactionFlags, __global float4* posq, unsigned int maxTiles, unsigned int startTileIndex,
+__kernel void findBlocksWithInteractions(float cutoffSquared, float4 periodicBoxSize, float4 invPeriodicBoxSize, __global const float4* restrict blockCenter,
+        __global const float4* restrict blockBoundingBox, __global unsigned int* restrict interactionCount, __global ushort2* restrict interactingTiles,
+        __global unsigned int* restrict interactionFlags, __global const float4* restrict posq, unsigned int maxTiles, unsigned int startTileIndex,
         unsigned int endTileIndex) {
     __local ushort2 buffer[BUFFER_SIZE];
     __local int valid[BUFFER_SIZE];
@@ -220,8 +220,8 @@ __kernel void findBlocksWithInteractions(float cutoffSquared, float4 periodicBox
  * Compare each atom in one block to the bounding box of another block, and set
  * flags for which ones are interacting.
  */
-__kernel void findInteractionsWithinBlocks(float cutoffSquared, float4 periodicBoxSize, float4 invPeriodicBoxSize, __global float4* posq, __global ushort2* tiles, __global float4* blockCenter,
-            __global float4* blockBoundingBox, __global unsigned int* interactionFlags, __global unsigned int* interactionCount, __local unsigned int* flags, unsigned int maxTiles) {
+__kernel void findInteractionsWithinBlocks(float cutoffSquared, float4 periodicBoxSize, float4 invPeriodicBoxSize, __global const float4* restrict posq, __global const ushort2* restrict tiles, __global const float4* restrict blockCenter,
+            __global const float4* restrict blockBoundingBox, __global unsigned int* restrict interactionFlags, __global const unsigned int* restrict interactionCount, __local unsigned int* restrict flags, unsigned int maxTiles) {
     unsigned int totalWarps = get_global_size(0)/TILE_SIZE;
     unsigned int warp = get_global_id(0)/TILE_SIZE;
     unsigned int numTiles = interactionCount[0];

platforms/opencl/src/kernels/findInteractingBlocks_cpu.cl

@@ -8,7 +8,7 @@
 /**
  * Find a bounding box for the atoms in each block.
  */
-__kernel void findBlockBounds(int numAtoms, float4 periodicBoxSize, float4 invPeriodicBoxSize, __global float4* posq, __global float4* blockCenter, __global float4* blockBoundingBox, __global unsigned int* interactionCount) {
+__kernel void findBlockBounds(int numAtoms, float4 periodicBoxSize, float4 invPeriodicBoxSize, __global const float4* restrict posq, __global float4* restrict blockCenter, __global float4* restrict blockBoundingBox, __global unsigned int* restrict interactionCount) {
     int index = get_global_id(0);
     int base = index*TILE_SIZE;
     while (base < numAtoms) {
@@ -121,9 +121,9 @@ void storeInteractionData(ushort2* buffer, int numValid, __global unsigned int*
  * Compare the bounding boxes for each pair of blocks.  If they are sufficiently far apart,
  * mark them as non-interacting.
  */
-__kernel void findBlocksWithInteractions(float cutoffSquared, float4 periodicBoxSize, float4 invPeriodicBoxSize, __global float4* blockCenter,
-        __global float4* blockBoundingBox, __global unsigned int* interactionCount, __global ushort2* interactingTiles,
-        __global unsigned int* interactionFlags, __global float4* posq, unsigned int maxTiles, unsigned int startTileIndex,
+__kernel void findBlocksWithInteractions(float cutoffSquared, float4 periodicBoxSize, float4 invPeriodicBoxSize, __global const float4* restrict blockCenter,
+        __global const float4* restrict blockBoundingBox, __global unsigned int* restrict interactionCount, __global ushort2* restrict interactingTiles,
+        __global unsigned int* restrict interactionFlags, __global const float4* restrict posq, unsigned int maxTiles, unsigned int startTileIndex,
         unsigned int endTileIndex) {
     ushort2 buffer[BUFFER_SIZE];
     int valuesInBuffer = 0;