libhoomd/computes_gpu/ComputeThermoGPU.h

   1 /*
   2 Highly Optimized Object-oriented Many-particle Dynamics -- Blue Edition
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  36 THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDER AND CONTRIBUTORS ``AS IS'' AND
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  41 IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT,
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  49
  50 // Maintainer: joaander
  51
  52 #include "ComputeThermo.h"
  53
  54 /*! \file ComputeThermoGPU.h
  55     \brief Declares a class for computing thermodynamic quantities on the GPU
  56 */
  57
  58 #ifdef NVCC
  59 #error This header cannot be compiled by nvcc
  60 #endif
  61
  62 #ifndef __COMPUTE_THERMO_GPU_H__
  63 #define __COMPUTE_THERMO_GPU_H__
  64
  65 //! Computes thermodynamic properties of a group of particles on the GPU
  66 /*! ComputeThermoGPU is a GPU accelerated implementation of ComputeThermo
  67     \ingroup computes
  68 */
  69 class ComputeThermoGPU : public ComputeThermo
  70     {
  71     public:
  72         //! Constructs the compute
  73         ComputeThermoGPU(boost::shared_ptr<SystemDefinition> sysdef,
  74                          boost::shared_ptr<ParticleGroup> group,
  75                          const std::string& suffix = std::string(""));
  76         virtual ~ComputeThermoGPU();
  77
  78     protected:
  79         GPUArray<Scalar4> m_scratch;  //!< Scratch space for partial sums
  80         GPUArray<Scalar> m_scratch_pressure_tensor; //!< Scratch space for pressure tensor partial sums
  81         unsigned int m_num_blocks;   //!< Number of blocks participating in the reduction
  82         unsigned int m_block_size;   //!< Block size executed
  83         cudaEvent_t m_event;         //!< CUDA event for synchronization
  84
  85 #ifdef ENABLE_MPI
  86         //! Reduce properties over MPI
  87         virtual void reduceProperties();
  88 #endif
  89
  90         //! Does the actual computation
  91         virtual void computeProperties();
  92     };
  93
  94 //! Exports the ComputeThermoGPU class to python
  95 void export_ComputeThermoGPU();
  96
  97 #endif