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Commit daa9de8a authored by peastman's avatar peastman
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Fixes to CPU OpenCL

parent 82d01134
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Showing with 1 addition and 3 deletions
platforms/opencl/src/kernels/gbsaObc_cpu.cl
View file @ daa9de8a
...@@ -58,7 +58,6 @@ __kernel void computeBornSum( ...@@ -58,7 +58,6 @@ __kernel void computeBornSum(
unsigned int atom1 = x*TILE_SIZE+tgx; unsigned int atom1 = x*TILE_SIZE+tgx;
real bornSum = 0.0f; real bornSum = 0.0f;
real4 posq1 = posq[atom1]; real4 posq1 = posq[atom1];
real charge1 = charge[atom1];
float2 params1 = global_params[atom1]; float2 params1 = global_params[atom1];
for (unsigned int j = 0; j < TILE_SIZE; j++) { for (unsigned int j = 0; j < TILE_SIZE; j++) {
real3 pos2 = (real3) (localData[j].x, localData[j].y, localData[j].z); real3 pos2 = (real3) (localData[j].x, localData[j].y, localData[j].z);
...@@ -109,7 +108,6 @@ __kernel void computeBornSum( ...@@ -109,7 +108,6 @@ __kernel void computeBornSum(
unsigned int atom1 = x*TILE_SIZE+tgx; unsigned int atom1 = x*TILE_SIZE+tgx;
real bornSum = 0; real bornSum = 0;
real4 posq1 = posq[atom1]; real4 posq1 = posq[atom1];
real charge1 = charge[atom1];
float2 params1 = global_params[atom1]; float2 params1 = global_params[atom1];
for (unsigned int j = 0; j < TILE_SIZE; j++) { for (unsigned int j = 0; j < TILE_SIZE; j++) {
real3 pos2 = (real3) (localData[j].x, localData[j].y, localData[j].z); real3 pos2 = (real3) (localData[j].x, localData[j].y, localData[j].z);
...@@ -319,7 +317,6 @@ __kernel void computeBornSum( ...@@ -319,7 +317,6 @@ __kernel void computeBornSum(
unsigned int atom1 = x*TILE_SIZE+tgx; unsigned int atom1 = x*TILE_SIZE+tgx;
real bornSum = 0; real bornSum = 0;
real4 posq1 = posq[atom1]; real4 posq1 = posq[atom1];
real charge1 = charge[atom1];
float2 params1 = global_params[atom1]; float2 params1 = global_params[atom1];
for (unsigned int j = 0; j < TILE_SIZE; j++) { for (unsigned int j = 0; j < TILE_SIZE; j++) {
real3 pos2 = (real3) (localData[j].x, localData[j].y, localData[j].z); real3 pos2 = (real3) (localData[j].x, localData[j].y, localData[j].z);
...@@ -684,6 +681,7 @@ __kernel void computeGBSAForce1( ...@@ -684,6 +681,7 @@ __kernel void computeGBSAForce1(
unsigned int atom1 = x*TILE_SIZE+tgx; unsigned int atom1 = x*TILE_SIZE+tgx;
real4 force = 0; real4 force = 0;
real4 posq1 = posq[atom1]; real4 posq1 = posq[atom1];
real charge1 = charge[atom1];
APPLY_PERIODIC_TO_POS_WITH_CENTER(posq1, blockCenterX) APPLY_PERIODIC_TO_POS_WITH_CENTER(posq1, blockCenterX)
float bornRadius1 = global_bornRadii[atom1]; float bornRadius1 = global_bornRadii[atom1];
for (unsigned int j = 0; j < TILE_SIZE; j++) { for (unsigned int j = 0; j < TILE_SIZE; j++) {
......
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