Fixed compilation error when total system mass is 0

d0f8db59 · peastman · 61ea4d43 · d0f8db59 · d0f8db59
Commit d0f8db59 authored Sep 03, 2013 by peastman
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Showing with 2 additions and 2 deletions

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

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

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--- a/platforms/cuda/src/CudaKernels.cpp
+++ b/platforms/cuda/src/CudaKernels.cpp
@@ -5752,7 +5752,7 @@ void CudaRemoveCMMotionKernel::initialize(const System& system, const CMMotionRe
    for (int i = 0; i < numAtoms; i++)
        totalMass += system.getParticleMass(i);
    map<string, string> defines;
-    defines["INVERSE_TOTAL_MASS"] = cu.doubleToString(1.0/totalMass);
+    defines["INVERSE_TOTAL_MASS"] = cu.doubleToString(totalMass == 0 ? 0.0 : 1.0/totalMass);
    CUmodule module = cu.createModule(CudaKernelSources::removeCM, defines);
    kernel1 = cu.getKernel(module, "calcCenterOfMassMomentum");
    kernel2 = cu.getKernel(module, "removeCenterOfMassMomentum");

--- a/platforms/opencl/src/OpenCLKernels.cpp
+++ b/platforms/opencl/src/OpenCLKernels.cpp
@@ -5978,7 +5978,7 @@ void OpenCLRemoveCMMotionKernel::initialize(const System& system, const CMMotion
    for (int i = 0; i < numAtoms; i++)
        totalMass += system.getParticleMass(i);
    map<string, string> defines;
-    defines["INVERSE_TOTAL_MASS"] = cl.doubleToString(1.0/totalMass);
+    defines["INVERSE_TOTAL_MASS"] = cl.doubleToString(totalMass == 0 ? 0.0 : 1.0/totalMass);
    cl::Program program = cl.createProgram(OpenCLKernelSources::removeCM, defines);
    kernel1 = cl::Kernel(program, "calcCenterOfMassMomentum");
    kernel1.setArg<cl_int>(0, numAtoms);