src/gromacs/mdtypes/forcebuffers.cpp

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  35 /*! \internal \file
  36  * \brief
  37  * Implements the ForceBuffers class
  38  *
  39  * \author Berk Hess <hess@kth.se>
  40  * \ingroup module_mdtypes
  41  */
  42
  43 #include "gmxpre.h"
  44
  45 #include "forcebuffers.h"
  46
  47 #include "gromacs/gpu_utils/hostallocator.h"
  48
  49 namespace gmx
  50 {
  51
  52 ForceBuffers::ForceBuffers() :
  53     force_({}),
  54     forceMtsCombined_({}),
  55     view_({}, {}, false),
  56     useForceMtsCombined_(false)
  57 {
  58 }
  59
  60 ForceBuffers::ForceBuffers(const bool useForceMtsCombined, const PinningPolicy pinningPolicy) :
  61     force_({}, { pinningPolicy }),
  62     forceMtsCombined_({}),
  63     view_({}, {}, useForceMtsCombined),
  64     useForceMtsCombined_(useForceMtsCombined)
  65 {
  66 }
  67
  68 ForceBuffers::~ForceBuffers() = default;
  69
  70 ForceBuffers& ForceBuffers::operator=(ForceBuffers const& o)
  71 {
  72     auto oForce = o.view().force();
  73     resize(oForce.size());
  74     std::copy(oForce.begin(), oForce.end(), view().force().begin());
  75
  76     return *this;
  77 }
  78
  79 PinningPolicy ForceBuffers::pinningPolicy() const
  80 {
  81     return force_.get_allocator().pinningPolicy();
  82 }
  83
  84 void ForceBuffers::resize(int numAtoms)
  85 {
  86     force_.resizeWithPadding(numAtoms);
  87     if (useForceMtsCombined_)
  88     {
  89         forceMtsCombined_.resizeWithPadding(numAtoms);
  90     }
  91     view_ = ForceBuffersView(force_.arrayRefWithPadding(), forceMtsCombined_.arrayRefWithPadding(),
  92                              useForceMtsCombined_);
  93 }
  94
  95 } // namespace gmx