Commit f0454a4b authored by Peter Eastman's avatar Peter Eastman
Browse files

Fixed errors under Intel OpenCL

parent 387008ce
......@@ -3517,7 +3517,7 @@ void OpenCLCalcCustomHbondForceKernel::initialize(const System& system, const Cu
defines["PADDED_NUM_ATOMS"] = intToString(cl.getPaddedNumAtoms());
defines["NUM_DONORS"] = intToString(numDonors);
defines["NUM_ACCEPTORS"] = intToString(numAcceptors);
defines["M_PI"] = doubleToString(M_PI);
defines["PI"] = doubleToString(M_PI);
if (force.getNonbondedMethod() != CustomHbondForce::NoCutoff) {
defines["USE_CUTOFF"] = "1";
defines["CUTOFF_SQUARED"] = doubleToString(force.getCutoffDistance()*force.getCutoffDistance());
......
......@@ -375,10 +375,12 @@ void OpenCLNonbondedUtilities::updateNeighborListSize() {
interactionFlags = new OpenCLArray<cl_uint>(context, deviceIsCpu ? 2*newSize : newSize, "interactionFlags");
forceKernel.setArg<cl::Buffer>(13, interactionFlags->getDeviceBuffer());
findInteractingBlocksKernel.setArg<cl::Buffer>(7, interactionFlags->getDeviceBuffer());
if (!deviceIsCpu) {
findInteractionsWithinBlocksKernel.setArg<cl::Buffer>(4, interactingTiles->getDeviceBuffer());
findInteractionsWithinBlocksKernel.setArg<cl::Buffer>(7, interactionFlags->getDeviceBuffer());
findInteractionsWithinBlocksKernel.setArg<cl_uint>(10, newSize);
}
}
}
void OpenCLNonbondedUtilities::setTileRange(int startTileIndex, int numTiles) {
......
......@@ -36,7 +36,7 @@ float computeAngle(float4 vec1, float4 vec2) {
float scale = vec1.w*vec2.w;
angle = asin(SQRT(dot(crossProduct, crossProduct)/scale));
if (cosine < 0.0f)
angle = M_PI-angle;
angle = PI-angle;
}
else
angle = acos(cosine);
......
......@@ -30,6 +30,7 @@ __kernel void computeRange(__global const DATA_TYPE* restrict data, uint length,
barrier(CLK_LOCAL_MEM_FENCE);
}
minimum = buffer[0];
barrier(CLK_LOCAL_MEM_FENCE);
buffer[get_local_id(0)] = maximum;
barrier(CLK_LOCAL_MEM_FENCE);
for (uint step = 1; step < get_local_size(0); step *= 2) {
......
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