Minor improvement

af57bf98 · peastman · 9fa21b3a · af57bf98 · af57bf98
Commit af57bf98 authored Mar 20, 2018 by peastman
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Showing with 2 additions and 2 deletions

platforms/cuda/src/CudaContext.cpp platforms/cuda/src/CudaContext.cpp +1 -1

platforms/opencl/src/OpenCLContext.cpp platforms/opencl/src/OpenCLContext.cpp +1 -1

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--- a/platforms/cuda/src/CudaContext.cpp
+++ b/platforms/cuda/src/CudaContext.cpp
@@ -1129,7 +1129,7 @@ bool CudaContext::invalidateMolecules(CudaForceInfo* force) {
            Molecule& m1 = molecules[instances[0]];
            int offset1 = offsets[0];
            int numThreads = threads.getNumThreads();
-            int start = threadIndex*numMolecules/numThreads;
+            int start = max(1, threadIndex*numMolecules/numThreads);
            int end = (threadIndex+1)*numMolecules/numThreads;
            for (int j = start; j < end; j++) {
                // See if the atoms are identical.

--- a/platforms/opencl/src/OpenCLContext.cpp
+++ b/platforms/opencl/src/OpenCLContext.cpp
@@ -1016,7 +1016,7 @@ bool OpenCLContext::invalidateMolecules(OpenCLForceInfo* force) {
            Molecule& m1 = molecules[instances[0]];
            int offset1 = offsets[0];
            int numThreads = threads.getNumThreads();
-            int start = threadIndex*numMolecules/numThreads;
+            int start = max(1, threadIndex*numMolecules/numThreads);
            int end = (threadIndex+1)*numMolecules/numThreads;
            for (int j = start; j < end; j++) {
                // See if the atoms are identical.