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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11660 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2014-03-20 14:50:49 +00:00
parent e1cc86a12f
commit 67afd6fb68
6 changed files with 170 additions and 43 deletions
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34
lib/gpu/lal_atom.cpp
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@ -41,6 +41,8 @@ int AtomT::bytes_per_atom() const {
bytes+=4*sizeof(numtyp);
if (_charge)
bytes+=sizeof(numtyp);
if (_vel)
bytes+=4*sizeof(numtyp);
return bytes;
}
@ -52,7 +54,7 @@ bool AtomT::alloc(const int nall) {
// Ignore host/device transfers?
_host_view=false;
if (dev->shared_memory()) {
if (dev->shared_memory() && sizeof(numtyp)==sizeof(double)) {
_host_view=true;
#ifdef GPU_CAST
assert(0==1);
@ -90,6 +92,11 @@ bool AtomT::alloc(const int nall) {
UCL_READ_ONLY)==UCL_SUCCESS);
gpu_bytes+=quat.device.row_bytes();
}
if (_vel && _host_view==false) {
success=success && (v.alloc(_max_atoms*4,*dev,UCL_WRITE_ONLY,
UCL_READ_ONLY)==UCL_SUCCESS);
gpu_bytes+=v.device.row_bytes();
}
if (_gpu_nbor>0) {
if (_bonds) {
@ -124,7 +131,7 @@ bool AtomT::alloc(const int nall) {
template <class numtyp, class acctyp>
bool AtomT::add_fields(const bool charge, const bool rot,
const int gpu_nbor, const bool bonds) {
const int gpu_nbor, const bool bonds, const bool vel) {
bool success=true;
// Ignore host/device transfers?
int gpu_bytes=0;
@ -149,6 +156,16 @@ bool AtomT::add_fields(const bool charge, const bool rot,
}
}
if (vel && _vel==false) {
_vel=true;
_other=true;
if (_host_view==false) {
success=success && (v.alloc(_max_atoms*4,*dev,UCL_WRITE_ONLY,
UCL_READ_ONLY)==UCL_SUCCESS);
gpu_bytes+=v.device.row_bytes();
}
}
if (bonds && _bonds==false) {
_bonds=true;
if (_bonds && _gpu_nbor>0) {
@ -191,19 +208,21 @@ bool AtomT::add_fields(const bool charge, const bool rot,
template <class numtyp, class acctyp>
bool AtomT::init(const int nall, const bool charge, const bool rot,
UCL_Device &devi, const int gpu_nbor, const bool bonds) {
UCL_Device &devi, const int gpu_nbor, const bool bonds, const bool vel) {
clear();
bool success=true;
_x_avail=false;
_q_avail=false;
_quat_avail=false;
_v_avail=false;
_resized=false;
_gpu_nbor=gpu_nbor;
_bonds=bonds;
_charge=charge;
_rot=rot;
_other=_charge || _rot;
_vel=vel;
_other=_charge || _rot || _vel;
dev=&devi;
_time_transfer=0;
@ -216,9 +235,11 @@ bool AtomT::init(const int nall, const bool charge, const bool rot,
time_pos.init(*dev);
time_q.init(*dev);
time_quat.init(*dev);
time_vel.init(*dev);
time_pos.zero();
time_q.zero();
time_quat.zero();
time_vel.zero();
_time_cast=0.0;
#ifdef GPU_CAST
@ -239,6 +260,8 @@ void AtomT::clear_resize() {
q.clear();
if (_rot)
quat.clear();
if (_vel)
v.clear();
dev_cell_id.clear();
dev_particle_id.clear();
@ -267,6 +290,7 @@ void AtomT::clear() {
time_pos.clear();
time_q.clear();
time_quat.clear();
time_vel.clear();
clear_resize();
#ifdef GPU_CAST
@ -285,6 +309,8 @@ double AtomT::host_memory_usage() const {
atom_bytes+=1;
if (_rot)
atom_bytes+=4;
if (_vel)
atom_bytes+=4;
return _max_atoms*atom_bytes*sizeof(numtyp)+sizeof(Atom<numtyp,acctyp>);
}