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Commit 4362d539 authored by leeping's avatar leeping
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Merge github.com:SimTk/openmm

parents d284e2b8 b661807c
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plugins/amoeba/platforms/cuda/src/AmoebaCudaKernels.cpp
View file @ 4362d539
...@@ -893,8 +893,9 @@ void CudaCalcAmoebaMultipoleForceKernel::initialize(const System& system, const ...@@ -893,8 +893,9 @@ void CudaCalcAmoebaMultipoleForceKernel::initialize(const System& system, const
numMultipoles = force.getNumMultipoles(); numMultipoles = force.getNumMultipoles();
CudaArray& posq = cu.getPosq(); CudaArray& posq = cu.getPosq();
float4* posqf = (float4*) cu.getPinnedBuffer(); vector<double4> temp(posq.getSize());
double4* posqd = (double4*) cu.getPinnedBuffer(); float4* posqf = (float4*) &temp[0];
double4* posqd = (double4*) &temp[0];
vector<float2> dampingAndTholeVec; vector<float2> dampingAndTholeVec;
vector<float> polarizabilityVec; vector<float> polarizabilityVec;
vector<float> molecularDipolesVec; vector<float> molecularDipolesVec;
...@@ -945,7 +946,7 @@ void CudaCalcAmoebaMultipoleForceKernel::initialize(const System& system, const ...@@ -945,7 +946,7 @@ void CudaCalcAmoebaMultipoleForceKernel::initialize(const System& system, const
multipoleParticles->upload(multipoleParticlesVec); multipoleParticles->upload(multipoleParticlesVec);
molecularDipoles->upload(molecularDipolesVec); molecularDipoles->upload(molecularDipolesVec);
molecularQuadrupoles->upload(molecularQuadrupolesVec); molecularQuadrupoles->upload(molecularQuadrupolesVec);
posq.upload(cu.getPinnedBuffer()); posq.upload(&temp[0]);
// Create workspace arrays. // Create workspace arrays.
......
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