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tsoc
openmm
Commits
1cb9e183
Commit
1cb9e183
authored
Apr 20, 2010
by
Peter Eastman
Browse files
Fixed error under Nvidia's OpenCL
parent
809c1308
Changes
1
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platforms/opencl/src/kernels/customHbondForce.cl
platforms/opencl/src/kernels/customHbondForce.cl
+6
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platforms/opencl/src/kernels/customHbondForce.cl
View file @
1cb9e183
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@@ -59,9 +59,9 @@ __kernel void computeDonorForces(__global float4* forceBuffers, __global float*
__global int4* donorAtoms, __global int4* acceptorAtoms, __global int4* donorBufferIndices, __local float4* posBuffer
PARAMETER_ARGUMENTS) {
float energy = 0.0f;
float4 f1 = 0;
float4 f2 = 0;
float4 f3 = 0;
float4 f1 =
(float4)
0;
float4 f2 =
(float4)
0;
float4 f3 =
(float4)
0;
for (int donorStart = 0; donorStart < NUM_DONORS; donorStart += get_global_size(0)) {
// Load information about the donor this thread will compute forces on.
...
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@@ -144,9 +144,9 @@ __kernel void computeDonorForces(__global float4* forceBuffers, __global float*
__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
PARAMETER_ARGUMENTS) {
float4 f1 = 0;
float4 f2 = 0;
float4 f3 = 0;
float4 f1 =
(float4)
0;
float4 f2 =
(float4)
0;
float4 f3 =
(float4)
0;
for (int acceptorStart = 0; acceptorStart < NUM_ACCEPTORS; acceptorStart += get_global_size(0)) {
// Load information about the acceptor this thread will compute forces on.
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