libhoomd/cuda/FIREEnergyMinimizerGPU.cuh

   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: askeys
  51
  52 #include "ParticleData.cuh"
  53 #include "HOOMDMath.h"
  54
  55 #ifndef __FIRE_ENERGY_MINIMIZER_GPU_CUH__
  56 #define __FIRE_ENERGY_MINIMIZER_GPU_CUH__
  57
  58 /*! \file FIREEnergyMinimizerGPU.cuh
  59     \brief Defines the interace to GPU kernal drivers used by FIREEnergyMinimizerGPU.
  60 */
  61
  62 //! Kernel driver for zeroing velocities called by FIREEnergyMinimizerGPU
  63 cudaError_t gpu_fire_zero_v(Scalar4 *d_vel,
  64                             unsigned int *d_group_members,
  65                             unsigned int group_size);
  66
  67 //! Kernel driver for summing the potential energy called by FIREEnergyMinimizerGPU
  68 cudaError_t gpu_fire_compute_sum_pe(unsigned int *d_group_members,
  69                             unsigned int group_size,
  70                             Scalar4* d_net_force,
  71                             Scalar* d_sum_pe,
  72                             Scalar* d_partial_sum_pe,
  73                             unsigned int block_size,
  74                             unsigned int num_blocks);
  75
  76 //! Kernel driver for summing over P, vsq, and asq called by FIREEnergyMinimizerGPU
  77 cudaError_t gpu_fire_compute_sum_all(const unsigned int N,
  78                             const Scalar4 *d_vel,
  79                             const Scalar3 *d_accel,
  80                             unsigned int *d_group_members,
  81                             unsigned int group_size,
  82                             Scalar* d_sum_all,
  83                             Scalar* d_partial_sum_P,
  84                             Scalar* d_partial_sum_vsq,
  85                             Scalar* d_partial_sum_asq,
  86                             unsigned int block_size,
  87                             unsigned int num_blocks);
  88
  89 //! Kernel driver for updating the velocities called by FIREEnergyMinimizerGPU
  90 cudaError_t gpu_fire_update_v(Scalar4 *d_vel,
  91                             const Scalar3 *d_accel,
  92                             unsigned int *d_group_members,
  93                             unsigned int group_size,
  94                             Scalar alpha,
  95                             Scalar vnorm,
  96                             Scalar invfnorm);
  97
  98 #endif //__FIRE_ENERGY_MINIMIZER_GPU_CUH__