libhoomd/computes_gpu/PPPMForceComputeGPU.h

   1 /*
   2 Highly Optimized Object-oriented Many-particle Dynamics -- Blue Edition
   3 (HOOMD-blue) Open Source Software License Copyright 2009-2014 The Regents of
   4 the University of Michigan All rights reserved.
   5
   6 HOOMD-blue may contain modifications ("Contributions") provided, and to which
   7 copyright is held, by various Contributors who have granted The Regents of the
   8 University of Michigan the right to modify and/or distribute such Contributions.
   9
  10 You may redistribute, use, and create derivate works of HOOMD-blue, in source
  11 and binary forms, provided you abide by the following conditions:
  12
  13 * Redistributions of source code must retain the above copyright notice, this
  14 list of conditions, and the following disclaimer both in the code and
  15 prominently in any materials provided with the distribution.
  16
  17 * Redistributions in binary form must reproduce the above copyright notice, this
  18 list of conditions, and the following disclaimer in the documentation and/or
  19 other materials provided with the distribution.
  20
  21 * All publications and presentations based on HOOMD-blue, including any reports
  22 or published results obtained, in whole or in part, with HOOMD-blue, will
  23 acknowledge its use according to the terms posted at the time of submission on:
  24 http://codeblue.umich.edu/hoomd-blue/citations.html
  25
  26 * Any electronic documents citing HOOMD-Blue will link to the HOOMD-Blue website:
  27 http://codeblue.umich.edu/hoomd-blue/
  28
  29 * Apart from the above required attributions, neither the name of the copyright
  30 holder nor the names of HOOMD-blue's contributors may be used to endorse or
  31 promote products derived from this software without specific prior written
  32 permission.
  33
  34 Disclaimer
  35
  36 THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDER AND CONTRIBUTORS ``AS IS'' AND
  37 ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
  38 WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE, AND/OR ANY
  39 WARRANTIES THAT THIS SOFTWARE IS FREE OF INFRINGEMENT ARE DISCLAIMED.
  40
  41 IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT,
  42 INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING,
  43 BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
  44 DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
  45 LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE
  46 OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF
  47 ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
  48 */
  49
  50 // Maintainer: sbarr
  51
  52 #include <cufft.h>
  53 #include "PPPMForceCompute.h"
  54 #include "PPPMForceGPU.cuh"
  55 #include "NeighborList.h"
  56
  57 #include <boost/shared_ptr.hpp>
  58 #include <boost/signals2.hpp>
  59
  60 /*! \file PPPMForceComputeGPU.h
  61     \brief Declares the PPPMForceGPU class
  62 */
  63
  64 #ifdef NVCC
  65 #error This header cannot be compiled by nvcc
  66 #endif
  67
  68 #ifndef __PPPMFORCECOMPUTEGPU_H__
  69 #define __PPPMFORCECOMPUTEGPU_H__
  70
  71 //! Implements the harmonic bond force calculation on the GPU
  72 /*! PPPMForceComputeGPU implements the same calculations as PPPMForceCompute,
  73     but executing on the GPU.
  74
  75     Per-type parameters are stored in a simple global memory area pointed to by
  76     \a m_gpu_params. They are stored as Scalar2's with the \a x component being K and the
  77     \a y component being r_0.
  78
  79     The GPU kernel can be found in bondforce_kernel.cu.
  80
  81     \ingroup computes
  82 */
  83 class PPPMForceComputeGPU : public PPPMForceCompute
  84     {
  85     public:
  86         //! Constructs the compute
  87         PPPMForceComputeGPU(boost::shared_ptr<SystemDefinition> sysdef,
  88                             boost::shared_ptr<NeighborList> nlist,
  89                             boost::shared_ptr<ParticleGroup> group);
  90         //! Destructor
  91         ~PPPMForceComputeGPU();
  92
  93         //! Sets the block size to run on the device
  94         /*! \param block_size Block size to set
  95          */
  96         void setBlockSize(int block_size)
  97             {
  98             m_block_size = block_size;
  99             }
 100
 101         //! Set the parameters
 102         virtual void setParams(int Nx, int Ny, int Nz, int order, Scalar kappa, Scalar rcut);
 103
 104         //! fix the energy and virial thermodynamic quantities
 105
 106     protected:
 107         int m_block_size;                    //!< Block size to run calculation on
 108         cufftHandle plan;                    //!< Used for the Fast Fourier Transformations performed on the GPU
 109         bool m_first_run;                    //!< True if this is the first run
 110
 111         //! Actually compute the forces
 112         virtual void computeForces(unsigned int timestep);
 113     };
 114
 115 //! Export the BondForceComputeGPU class to python
 116 void export_PPPMForceComputeGPU();
 117
 118 #endif