Skip to content

GitLab

Commit daa9de8a authored by peastman's avatar peastman
Browse files

Fixes to CPU OpenCL

parent 82d01134
Show whitespace changes
Inline Side-by-side
Showing with 1 addition and 3 deletions
platforms/opencl/src/kernels/gbsaObc_cpu.cl
View file @ daa9de8a
......@@ -58,7 +58,6 @@ __kernel void computeBornSum(
unsigned int atom1 = x*TILE_SIZE+tgx;
real bornSum = 0.0f;
real4 posq1 = posq[atom1];
real charge1 = charge[atom1];
float2 params1 = global_params[atom1];
for (unsigned int j = 0; j < TILE_SIZE; j++) {
real3 pos2 = (real3) (localData[j].x, localData[j].y, localData[j].z);
......@@ -109,7 +108,6 @@ __kernel void computeBornSum(
unsigned int atom1 = x*TILE_SIZE+tgx;
real bornSum = 0;
real4 posq1 = posq[atom1];
real charge1 = charge[atom1];
float2 params1 = global_params[atom1];
for (unsigned int j = 0; j < TILE_SIZE; j++) {
real3 pos2 = (real3) (localData[j].x, localData[j].y, localData[j].z);
......@@ -319,7 +317,6 @@ __kernel void computeBornSum(
unsigned int atom1 = x*TILE_SIZE+tgx;
real bornSum = 0;
real4 posq1 = posq[atom1];
real charge1 = charge[atom1];
float2 params1 = global_params[atom1];
for (unsigned int j = 0; j < TILE_SIZE; j++) {
real3 pos2 = (real3) (localData[j].x, localData[j].y, localData[j].z);
......@@ -684,6 +681,7 @@ __kernel void computeGBSAForce1(
unsigned int atom1 = x*TILE_SIZE+tgx;
real4 force = 0;
real4 posq1 = posq[atom1];
real charge1 = charge[atom1];
APPLY_PERIODIC_TO_POS_WITH_CENTER(posq1, blockCenterX)
float bornRadius1 = global_bornRadii[atom1];
for (unsigned int j = 0; j < TILE_SIZE; j++) {
......
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment