🐛 further refactor step fixing
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@ -153,7 +153,7 @@ void cuda_final_integrate(bool doReneighbour, Parameter *param, Atom *atom, Atom
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checkCUDAError( "DeviceSync FinalIntegrate", cudaDeviceSynchronize() );
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checkCUDAError( "DeviceSync FinalIntegrate", cudaDeviceSynchronize() );
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if(doReneighbour) {
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if(doReneighbour) {
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checkCUDAError( "FinalIntegrate: velocity memcpy", cudaMemcpy(atom->vx, c_atom.vx, sizeof(MD_FLOAT) * atom->Nlocal * 3, cudaMemcpyDeviceToHost) );
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checkCUDAError( "FinalIntegrate: velocity memcpy", cudaMemcpy(atom->vx, c_atom->vx, sizeof(MD_FLOAT) * atom->Nlocal * 3, cudaMemcpyDeviceToHost) );
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}
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}
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}
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}
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@ -171,9 +171,9 @@ void cuda_initial_integrate(bool doReneighbour, Parameter *param, Atom *atom, At
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checkCUDAError( "DeviceSync InitialIntegrate", cudaDeviceSynchronize() );
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checkCUDAError( "DeviceSync InitialIntegrate", cudaDeviceSynchronize() );
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if(doReneighbour) {
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if(doReneighbour) {
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checkCUDAError( "InitialIntegrate: velocity memcpy", cudaMemcpy(atom->vx, c_atom.vx, sizeof(MD_FLOAT) * atom->Nlocal * 3, cudaMemcpyDeviceToHost) );
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checkCUDAError( "InitialIntegrate: velocity memcpy", cudaMemcpy(atom->vx, c_atom->vx, sizeof(MD_FLOAT) * atom->Nlocal * 3, cudaMemcpyDeviceToHost) );
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}
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}
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checkCUDAError( "InitialIntegrate: position memcpy", cudaMemcpy(atom->x, c_atom.x, sizeof(MD_FLOAT) * atom->Nlocal * 3, cudaMemcpyDeviceToHost) );
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checkCUDAError( "InitialIntegrate: position memcpy", cudaMemcpy(atom->x, c_atom->x, sizeof(MD_FLOAT) * atom->Nlocal * 3, cudaMemcpyDeviceToHost) );
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}
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}
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double computeForce(
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double computeForce(
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@ -215,7 +215,7 @@ double computeForce(
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// HINT: Run with cuda-memcheck ./MDBench-NVCC in case of error
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// HINT: Run with cuda-memcheck ./MDBench-NVCC in case of error
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// checkCUDAError( "c_atom.fx memset", cudaMemset(c_atom.fx, 0, sizeof(MD_FLOAT) * Nlocal * 3) );
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// checkCUDAError( "c_atom->fx memset", cudaMemset(c_atom->fx, 0, sizeof(MD_FLOAT) * Nlocal * 3) );
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cudaProfilerStart();
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cudaProfilerStart();
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