git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15248 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
@ -9,7 +9,7 @@
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This file is part of the LAMMPS Accelerator Library (LAMMPS_AL)
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__________________________________________________________________________
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begin :
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begin :
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email : brownw@ornl.gov
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***************************************************************************/
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@ -57,19 +57,19 @@ class Atom {
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/// Set number of local+ghost atoms for future copy operations
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inline void nall(const int n) { _nall=n; }
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/// Memory usage per atom in this class
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int bytes_per_atom() const;
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int bytes_per_atom() const;
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/// Clear any previous data and set up for a new LAMMPS run
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/** \param rot True if atom storage needs quaternions
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* \param gpu_nbor 0 if neighboring will be performed on host
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* gpu_nbor 1 if neighboring will be performed on device
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* gpu_nbor 2 if binning on host and neighboring on device **/
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bool init(const int nall, const bool charge, const bool rot,
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UCL_Device &dev, const int gpu_nbor=0, const bool bonds=false,
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bool init(const int nall, const bool charge, const bool rot,
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UCL_Device &dev, const int gpu_nbor=0, const bool bonds=false,
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const bool vel=false);
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/// Check if we have enough device storage and realloc if not
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/** Returns true if resized with any call during this timestep **/
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inline bool resize(const int nall, bool &success) {
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@ -81,7 +81,7 @@ class Atom {
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}
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return _resized;
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}
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/// If already initialized by another LAMMPS style, add fields as necessary
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/** \param rot True if atom storage needs quaternions
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* \param gpu_nbor 0 if neighboring will be performed on host
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@ -89,28 +89,28 @@ class Atom {
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* gpu_nbor 2 if binning on host and neighboring on device **/
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bool add_fields(const bool charge, const bool rot, const int gpu_nbor,
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const bool bonds, const bool vel=false);
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/// Returns true if GPU is using charges
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bool charge() { return _charge; }
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/// Returns true if GPU is using quaternions
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bool quaternion() { return _rot; }
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/// Returns true if GPU is using velocities
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bool velocity() { return _vel; }
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/// Only free matrices of length inum or nall for resizing
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void clear_resize();
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/// Free all memory on host and device
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void clear();
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/// Return the total amount of host memory used by class in bytes
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double host_memory_usage() const;
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/// Sort arrays for neighbor list calculation on device
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void sort_neighbor(const int num_atoms);
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/// Add copy times to timers
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inline void acc_timers() {
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time_pos.add_to_total();
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@ -150,18 +150,18 @@ class Atom {
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total+=time_vel.total_seconds();
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time_vel.zero_total();
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}
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return total+_time_transfer/1000.0;
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}
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/// Return the total time for data cast/pack
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/** Zeros the time so that atom times are only included once **/
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inline double cast_time()
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inline double cast_time()
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{ double t=_time_cast; _time_cast=0.0; return t; }
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/// Pack LAMMPS atom type constants into matrix and copy to device
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template <class dev_typ, class t1>
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inline void type_pack1(const int n, const int m_size,
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inline void type_pack1(const int n, const int m_size,
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UCL_D_Vec<dev_typ> &dev_v, UCL_H_Vec<numtyp> &buffer,
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t1 **one) {
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int ii=0;
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@ -215,7 +215,7 @@ class Atom {
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view.view((dev_typ*)buffer.begin(),m_size*m_size,*dev);
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ucl_copy(dev_v,view,false);
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}
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/// Pack LAMMPS atom type constants (4) into 4 vectors and copy to device
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template <class dev_typ, class t1, class t2, class t3, class t4>
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inline void type_pack4(const int n, const int m_size,
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@ -239,7 +239,7 @@ class Atom {
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/// Pack LAMMPS atom "self" type constants into 2 vectors and copy to device
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template <class dev_typ, class t1, class t2>
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inline void self_pack2(const int n, UCL_D_Vec<dev_typ> &dev_v,
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inline void self_pack2(const int n, UCL_D_Vec<dev_typ> &dev_v,
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UCL_H_Vec<numtyp> &buffer, t1 **one, t2 **two) {
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for (int i=0; i<n; i++) {
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buffer[i*2]=static_cast<numtyp>(one[i][i]);
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@ -279,7 +279,7 @@ class Atom {
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/// Copy positions and types to device asynchronously
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/** Copies nall() elements **/
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inline void add_x_data(double **host_ptr, int *host_type) {
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inline void add_x_data(double **host_ptr, int *host_type) {
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time_pos.start();
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if (_x_avail==false) {
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#ifdef GPU_CAST
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@ -376,7 +376,7 @@ class Atom {
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/// Copy velocities and tags to device asynchronously
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/** Copies nall() elements **/
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inline void add_v_data(double **host_ptr, tagint *host_tag) {
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inline void add_v_data(double **host_ptr, tagint *host_tag) {
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time_vel.start();
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if (_v_avail==false) {
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#ifdef GPU_CAST
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@ -407,8 +407,8 @@ class Atom {
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inline void add_transfer_time(double t) { _time_transfer+=t; }
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/// Return number of bytes used on device
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inline double max_gpu_bytes()
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{ double m=_max_gpu_bytes; _max_gpu_bytes=0.0; return m; }
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inline double max_gpu_bytes()
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{ double m=_max_gpu_bytes; _max_gpu_bytes=0.0; return m; }
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/// Returns true if the device is addressing memory on the host
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inline bool host_view() { return _host_view; }
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@ -422,7 +422,7 @@ class Atom {
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/// Quaterions
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UCL_Vector<numtyp,numtyp> quat;
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/// Velocities
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UCL_Vector<numtyp,numtyp> v;
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UCL_Vector<numtyp,numtyp> v;
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#ifdef GPU_CAST
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UCL_Vector<double,double> x_cast;
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@ -436,7 +436,7 @@ class Atom {
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/// Atom tag information for device nbor builds
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UCL_D_Vec<tagint> dev_tag;
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/// Cell list identifiers for hybrid nbor builds
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UCL_H_Vec<int> host_cell_id;
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/// Cell list identifiers for hybrid nbor builds
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@ -444,7 +444,7 @@ class Atom {
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/// Device timers
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UCL_Timer time_pos, time_q, time_quat, time_vel;
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/// Geryon device
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UCL_Device *dev;
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@ -456,19 +456,19 @@ class Atom {
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#endif
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bool _compiled;
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// True if data has been copied to device already
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bool _x_avail, _q_avail, _quat_avail, _v_avail, _resized;
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bool alloc(const int nall);
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bool _allocated, _rot, _charge, _bonds, _vel, _other;
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int _max_atoms, _nall, _gpu_nbor;
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bool _host_view;
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double _time_cast, _time_transfer;
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double _max_gpu_bytes;
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#ifdef USE_CUDPP
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CUDPPConfiguration sort_config;
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CUDPPHandle sort_plan;
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