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Commit 8ae2eba5 authored by Robert McGibbon's avatar Robert McGibbon
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Fix OpenCL platform on low-end devices

parent 7ee7de16
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Showing with 31 additions and 31 deletions
platforms/opencl/src/kernels/nonbonded.cl
View file @ 8ae2eba5
...@@ -126,7 +126,7 @@ __kernel void computeNonbonded( ...@@ -126,7 +126,7 @@ __kernel void computeNonbonded(
#endif #endif
real r2 = delta.x*delta.x + delta.y*delta.y + delta.z*delta.z; real r2 = delta.x*delta.x + delta.y*delta.y + delta.z*delta.z;
#ifdef PRUNE_BY_CUTOFF #ifdef PRUNE_BY_CUTOFF
if (r2 < CUTOFF_SQUARED) { if (r2 < MAX_CUTOFF*MAX_CUTOFF) {
#endif #endif
real invR = RSQRT(r2); real invR = RSQRT(r2);
real r = r2*invR; real r = r2*invR;
...@@ -300,7 +300,7 @@ __kernel void computeNonbonded( ...@@ -300,7 +300,7 @@ __kernel void computeNonbonded(
real4 delta = (real4) (posq2.xyz - posq1.xyz, 0); real4 delta = (real4) (posq2.xyz - posq1.xyz, 0);
real r2 = delta.x*delta.x + delta.y*delta.y + delta.z*delta.z; real r2 = delta.x*delta.x + delta.y*delta.y + delta.z*delta.z;
#ifdef PRUNE_BY_CUTOFF #ifdef PRUNE_BY_CUTOFF
if (r2 < CUTOFF_SQUARED) { if (r2 < MAX_CUTOFF*MAX_CUTOFF) {
#endif #endif
real invR = RSQRT(r2); real invR = RSQRT(r2);
real r = r2*invR; real r = r2*invR;
...@@ -352,7 +352,7 @@ __kernel void computeNonbonded( ...@@ -352,7 +352,7 @@ __kernel void computeNonbonded(
#endif #endif
real r2 = delta.x*delta.x + delta.y*delta.y + delta.z*delta.z; real r2 = delta.x*delta.x + delta.y*delta.y + delta.z*delta.z;
#ifdef PRUNE_BY_CUTOFF #ifdef PRUNE_BY_CUTOFF
if (r2 < CUTOFF_SQUARED) { if (r2 < MAX_CUTOFF*MAX_CUTOFF) {
#endif #endif
real invR = RSQRT(r2); real invR = RSQRT(r2);
real r = r2*invR; real r = r2*invR;
......
platforms/opencl/src/kernels/nonbonded_cpu.cl
View file @ 8ae2eba5
...@@ -70,7 +70,7 @@ __kernel void computeNonbonded( ...@@ -70,7 +70,7 @@ __kernel void computeNonbonded(
#endif #endif
real r2 = dot(delta.xyz, delta.xyz); real r2 = dot(delta.xyz, delta.xyz);
#ifdef USE_CUTOFF #ifdef USE_CUTOFF
if (r2 < CUTOFF_SQUARED) { if (r2 < MAX_CUTOFF*MAX_CUTOFF) {
#endif #endif
real invR = RSQRT(r2); real invR = RSQRT(r2);
real r = r2*invR; real r = r2*invR;
...@@ -138,7 +138,7 @@ __kernel void computeNonbonded( ...@@ -138,7 +138,7 @@ __kernel void computeNonbonded(
#endif #endif
real r2 = dot(delta.xyz, delta.xyz); real r2 = dot(delta.xyz, delta.xyz);
#ifdef USE_CUTOFF #ifdef USE_CUTOFF
if (r2 < CUTOFF_SQUARED) { if (r2 < MAX_CUTOFF*MAX_CUTOFF) {
#endif #endif
real invR = RSQRT(r2); real invR = RSQRT(r2);
real r = r2*invR; real r = r2*invR;
...@@ -304,7 +304,7 @@ __kernel void computeNonbonded( ...@@ -304,7 +304,7 @@ __kernel void computeNonbonded(
real4 posq2 = (real4) (localData[j].x, localData[j].y, localData[j].z, localData[j].q); real4 posq2 = (real4) (localData[j].x, localData[j].y, localData[j].z, localData[j].q);
real4 delta = (real4) (posq2.xyz - posq1.xyz, 0); real4 delta = (real4) (posq2.xyz - posq1.xyz, 0);
real r2 = dot(delta.xyz, delta.xyz); real r2 = dot(delta.xyz, delta.xyz);
if (r2 < CUTOFF_SQUARED) { if (r2 < MAX_CUTOFF*MAX_CUTOFF) {
real invR = RSQRT(r2); real invR = RSQRT(r2);
real r = r2*invR; real r = r2*invR;
unsigned int atom2 = j; unsigned int atom2 = j;
...@@ -367,7 +367,7 @@ __kernel void computeNonbonded( ...@@ -367,7 +367,7 @@ __kernel void computeNonbonded(
#endif #endif
real r2 = dot(delta.xyz, delta.xyz); real r2 = dot(delta.xyz, delta.xyz);
#ifdef USE_CUTOFF #ifdef USE_CUTOFF
if (r2 < CUTOFF_SQUARED) { if (r2 < MAX_CUTOFF*MAX_CUTOFF) {
#endif #endif
real invR = RSQRT(r2); real invR = RSQRT(r2);
real r = r2*invR; real r = r2*invR;
......
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