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Commit b6790d94 authored by Mark Friedrichs's avatar Mark Friedrichs
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maxTorqueBufferIndex was off by 1; affected small systems

parent e7f2cc29
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plugins/amoeba/platforms/cuda/src/kernels/amoebaCudaGpu.cpp
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...@@ -2818,6 +2818,7 @@ void amoebaGpuBuildOutputBuffers( amoebaGpuContext amoebaGpu, int hasAmoebaGener ...@@ -2818,6 +2818,7 @@ void amoebaGpuBuildOutputBuffers( amoebaGpuContext amoebaGpu, int hasAmoebaGener
// use the Cuda force output buffers for mapping torques onto forces, if max torque buffer count < number of buffers // use the Cuda force output buffers for mapping torques onto forces, if max torque buffer count < number of buffers
amoebaGpu->amoebaSim.maxTorqueBufferIndex++;
if( amoebaGpu->amoebaSim.maxTorqueBufferIndex > outputBuffers ){ if( amoebaGpu->amoebaSim.maxTorqueBufferIndex > outputBuffers ){
amoebaGpu->psTorqueMapForce4 = new CUDAStream<float4>(paddedNumberOfAtoms, amoebaGpu->amoebaSim.maxTorqueBufferIndex, "torqueMapForce"); amoebaGpu->psTorqueMapForce4 = new CUDAStream<float4>(paddedNumberOfAtoms, amoebaGpu->amoebaSim.maxTorqueBufferIndex, "torqueMapForce");
amoebaGpu->torqueMapForce4Delete = 1; amoebaGpu->torqueMapForce4Delete = 1;
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