Commit e09764b5 authored by Mark Friedrichs's avatar Mark Friedrichs
Browse files

Remove doubling of nonbonded buffers for OBC & GB/VI

parent 29fa0870
...@@ -2010,7 +2010,6 @@ int gpuBuildOutputBuffers(gpuContext gpu) ...@@ -2010,7 +2010,6 @@ int gpuBuildOutputBuffers(gpuContext gpu)
gpu->sim.nonbondOutputBuffers = gpu->sim.paddedNumberOfAtoms / GRID; gpu->sim.nonbondOutputBuffers = gpu->sim.paddedNumberOfAtoms / GRID;
} }
gpu->sim.totalNonbondOutputBuffers = ( (gpu->bIncludeGBSA || gpu->bIncludeGBVI) ? 2 * gpu->sim.nonbondOutputBuffers : gpu->sim.nonbondOutputBuffers); gpu->sim.totalNonbondOutputBuffers = ( (gpu->bIncludeGBSA || gpu->bIncludeGBVI) ? 2 * gpu->sim.nonbondOutputBuffers : gpu->sim.nonbondOutputBuffers);
//gpu->sim.totalNonbondOutputBuffers = 2*gpu->sim.nonbondOutputBuffers;
gpu->sim.outputBuffers = gpu->sim.totalNonbondOutputBuffers; gpu->sim.outputBuffers = gpu->sim.totalNonbondOutputBuffers;
unsigned int outputBuffers = gpu->sim.totalNonbondOutputBuffers; unsigned int outputBuffers = gpu->sim.totalNonbondOutputBuffers;
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