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Commit 3f315a11 authored by Peter Eastman's avatar Peter Eastman
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Throw an exception if the user tries to use PME on OpenCL

parent 6ccf6169
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platforms/opencl/src/OpenCLKernels.cpp
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...@@ -780,6 +780,8 @@ void OpenCLCalcNonbondedForceKernel::initialize(const System& system, const Nonb ...@@ -780,6 +780,8 @@ void OpenCLCalcNonbondedForceKernel::initialize(const System& system, const Nonb
ewaldForcesKernel = cl::Kernel(program, "calculateEwaldForces"); ewaldForcesKernel = cl::Kernel(program, "calculateEwaldForces");
cosSinSums = new OpenCLArray<mm_float2>(cl, (2*kmaxx-1)*(2*kmaxy-1)*(2*kmaxz-1), "cosSinSums"); cosSinSums = new OpenCLArray<mm_float2>(cl, (2*kmaxx-1)*(2*kmaxy-1)*(2*kmaxz-1), "cosSinSums");
} }
else if (force.getNonbondedMethod() == NonbondedForce::PME)
throw OpenMMException("OpenMMPlatform does not yet support PME");
else else
ewaldSelfEnergy = 0.0; ewaldSelfEnergy = 0.0;
......
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