maxTorqueBufferIndex was off by 1; affected small systems

b6790d94 · Mark Friedrichs · e7f2cc29 · b6790d94
Commit b6790d94 authored Jul 14, 2011 by Mark Friedrichs
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plugins/amoeba/platforms/cuda/src/kernels/amoebaCudaGpu.cpp plugins/amoeba/platforms/cuda/src/kernels/amoebaCudaGpu.cpp +1 -0

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--- a/plugins/amoeba/platforms/cuda/src/kernels/amoebaCudaGpu.cpp
+++ b/plugins/amoeba/platforms/cuda/src/kernels/amoebaCudaGpu.cpp
@@ -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

+     amoebaGpu->amoebaSim.maxTorqueBufferIndex++;
    if( amoebaGpu->amoebaSim.maxTorqueBufferIndex > outputBuffers ){
        amoebaGpu->psTorqueMapForce4            = new CUDAStream<float4>(paddedNumberOfAtoms, amoebaGpu->amoebaSim.maxTorqueBufferIndex, "torqueMapForce");
        amoebaGpu->torqueMapForce4Delete        = 1;