Merge pull request #1091 from rmcgibbo/osx-opencl

Fix OpenCL platform on low-end devices

platforms/opencl/src/kernels/nonbonded.cl

@@ -126,7 +126,7 @@ __kernel void computeNonbonded(
 #endif
                 real r2 = delta.x*delta.x + delta.y*delta.y + delta.z*delta.z;
 #ifdef PRUNE_BY_CUTOFF
-                if (r2 < CUTOFF_SQUARED) {
+                if (r2 < MAX_CUTOFF*MAX_CUTOFF) {
 #endif
                     real invR = RSQRT(r2);
                     real r = r2*invR;
@@ -300,7 +300,7 @@ __kernel void computeNonbonded(
                     real4 delta = (real4) (posq2.xyz - posq1.xyz, 0);
                     real r2 = delta.x*delta.x + delta.y*delta.y + delta.z*delta.z;
 #ifdef PRUNE_BY_CUTOFF
-                    if (r2 < CUTOFF_SQUARED) {
+                    if (r2 < MAX_CUTOFF*MAX_CUTOFF) {
 #endif
                         real invR = RSQRT(r2);
                         real r = r2*invR;
@@ -352,7 +352,7 @@ __kernel void computeNonbonded(
 #endif
                     real r2 = delta.x*delta.x + delta.y*delta.y + delta.z*delta.z;
 #ifdef PRUNE_BY_CUTOFF
-                    if (r2 < CUTOFF_SQUARED) {
+                    if (r2 < MAX_CUTOFF*MAX_CUTOFF) {
 #endif
                         real invR = RSQRT(r2);
                         real r = r2*invR;

platforms/opencl/src/kernels/nonbonded_cpu.cl

@@ -70,7 +70,7 @@ __kernel void computeNonbonded(
 #endif
                     real r2 = dot(delta.xyz, delta.xyz);
 #ifdef USE_CUTOFF
-                    if (r2 < CUTOFF_SQUARED) {
+                    if (r2 < MAX_CUTOFF*MAX_CUTOFF) {
 #endif
                         real invR = RSQRT(r2);
                         real r = r2*invR;
@@ -138,7 +138,7 @@ __kernel void computeNonbonded(
 #endif
                     real r2 = dot(delta.xyz, delta.xyz);
 #ifdef USE_CUTOFF
-                    if (r2 < CUTOFF_SQUARED) {
+                    if (r2 < MAX_CUTOFF*MAX_CUTOFF) {
 #endif
                         real invR = RSQRT(r2);
                         real r = r2*invR;
@@ -304,7 +304,7 @@ __kernel void computeNonbonded(
                         real4 posq2 = (real4) (localData[j].x, localData[j].y, localData[j].z, localData[j].q);
                         real4 delta = (real4) (posq2.xyz - posq1.xyz, 0);
                         real r2 = dot(delta.xyz, delta.xyz);
-                        if (r2 < CUTOFF_SQUARED) {
+                        if (r2 < MAX_CUTOFF*MAX_CUTOFF) {
                             real invR = RSQRT(r2);
                             real r = r2*invR;
                             unsigned int atom2 = j;
@@ -367,7 +367,7 @@ __kernel void computeNonbonded(
 #endif
                         real r2 = dot(delta.xyz, delta.xyz);
 #ifdef USE_CUTOFF
-                        if (r2 < CUTOFF_SQUARED) {
+                        if (r2 < MAX_CUTOFF*MAX_CUTOFF) {
 #endif
                             real invR = RSQRT(r2);
                             real r = r2*invR;