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remove trailing whitespace in gpu library

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This commit is contained in:
Axel Kohlmeyer
2016-06-24 13:55:14 -04:00
parent bc8c50615c
commit b56bdd2d7b
195 changed files with 3257 additions and 3257 deletions
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52
lib/gpu/lal_re_squared.cpp
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@ -37,18 +37,18 @@ RESquaredT::RESquared() : BaseEllipsoid<numtyp,acctyp>(),
}
template <class numtyp, class acctyp>
RESquaredT::~RESquared() {
RESquaredT::~RESquared() {
clear();
}
template <class numtyp, class acctyp>
int RESquaredT::bytes_per_atom(const int max_nbors) const {
return this->bytes_per_atom(max_nbors);
}
template <class numtyp, class acctyp>
int RESquaredT::init(const int ntypes, double **host_shape, double **host_well,
double **host_cutsq, double **host_sigma,
int RESquaredT::init(const int ntypes, double **host_shape, double **host_well,
double **host_cutsq, double **host_sigma,
double **host_epsilon, int **h_form, double **host_lj1,
double **host_lj2, double **host_lj3, double **host_lj4,
double **host_offset, const double *host_special_lj,
@ -97,7 +97,7 @@ int RESquaredT::init(const int ntypes, double **host_shape, double **host_well,
dev_error.alloc(1,*(this->ucl_device),UCL_WRITE_ONLY);
dev_error.zero();
// Allocate, cast and asynchronous memcpy of constant data
// Copy data for bonded interactions
special_lj.alloc(4,*(this->ucl_device),UCL_READ_ONLY);
@ -127,7 +127,7 @@ int RESquaredT::init(const int ntypes, double **host_shape, double **host_well,
}
view4.view((numtyp4*)host_write.begin(),well.numel(),*(this->ucl_device));
ucl_copy(well,view4,false);
_allocated=true;
this->_max_bytes=sigma_epsilon.row_bytes()+this->cut_form.row_bytes()+
lj1.row_bytes()+lj3.row_bytes()+special_lj.row_bytes()+
@ -144,7 +144,7 @@ void RESquaredT::clear() {
UCL_H_Vec<int> err_flag(1,*(this->ucl_device));
ucl_copy(err_flag,dev_error,false);
if (err_flag[0] == 2)
std::cerr << "BAD MATRIX INVERSION IN FORCE COMPUTATION.\n";
std::cerr << "BAD MATRIX INVERSION IN FORCE COMPUTATION.\n";
err_flag.clear();
_allocated=false;
@ -158,7 +158,7 @@ void RESquaredT::clear() {
shape.clear();
well.clear();
special_lj.clear();
this->clear_base();
}
@ -184,7 +184,7 @@ void RESquaredT::loop(const bool _eflag, const bool _vflag) {
vflag=1;
else
vflag=0;
int GX=0, NGX;
int stride=this->nbor->nbor_pitch();
int ainum=this->ans->inum();
@ -204,10 +204,10 @@ void RESquaredT::loop(const bool _eflag, const bool _vflag) {
this->k_ellipsoid.set_size(GX,BX);
this->k_ellipsoid.run(&this->atom->x, &this->atom->quat,
&this->shape, &this->well, &this->special_lj,
&this->sigma_epsilon, &this->_lj_types,
&this->nbor->dev_nbor, &stride,
&this->sigma_epsilon, &this->_lj_types,
&this->nbor->dev_nbor, &stride,
&this->ans->force,&ainum, &this->ans->engv,
&this->dev_error, &eflag, &vflag,
&this->dev_error, &eflag, &vflag,
&this->_last_ellipse, &this->_threads_per_atom);
this->time_ellipsoid.stop();
@ -219,12 +219,12 @@ void RESquaredT::loop(const bool _eflag, const bool _vflag) {
this->time_ellipsoid2.start();
this->k_ellipsoid_sphere.set_size(GX,BX);
this->k_ellipsoid_sphere.run(&this->atom->x, &this->atom->quat,
this->k_ellipsoid_sphere.run(&this->atom->x, &this->atom->quat,
&this->shape, &this->well, &this->special_lj,
&this->sigma_epsilon, &this->_lj_types,
&this->sigma_epsilon, &this->_lj_types,
&this->nbor->dev_nbor, &stride,
&this->ans->force,&ainum,
&this->ans->engv, &this->dev_error,
&this->ans->engv, &this->dev_error,
&eflag, &vflag, &this->_last_ellipse,
&this->_threads_per_atom);
this->time_ellipsoid2.stop();
@ -251,12 +251,12 @@ void RESquaredT::loop(const bool _eflag, const bool _vflag) {
this->time_ellipsoid3.start();
this->k_sphere_ellipsoid.set_size(GX,BX);
this->k_sphere_ellipsoid.run(&this->atom->x, &this->atom->quat,
&this->shape, &this->well, &this->special_lj,
&this->shape, &this->well, &this->special_lj,
&this->sigma_epsilon, &this->_lj_types,
&this->nbor->dev_nbor, &stride,
&this->nbor->dev_nbor, &stride,
&this->ans->force, &this->ans->engv,
&this->dev_error, &eflag, &vflag,
&this->_last_ellipse, &ainum,
&this->_last_ellipse, &ainum,
&this->_threads_per_atom);
this->time_ellipsoid3.stop();
} else {
@ -266,13 +266,13 @@ void RESquaredT::loop(const bool _eflag, const bool _vflag) {
this->ans->force.zero();
this->ans->engv.zero();
this->time_nbor1.zero();
this->time_ellipsoid.zero();
this->time_ellipsoid.zero();
this->time_nbor2.zero();
this->time_ellipsoid2.zero();
this->time_nbor3.zero();
this->time_ellipsoid3.zero();
}
// ------------ LJ ---------------
this->time_lj.start();
if (this->_last_ellipse<this->ans->inum()) {
@ -287,7 +287,7 @@ void RESquaredT::loop(const bool _eflag, const bool _vflag) {
} else {
this->k_lj.set_size(GX,BX);
this->k_lj.run(&this->atom->x, &this->lj1, &this->lj3,
&this->_lj_types, &this->special_lj, &stride,
&this->_lj_types, &this->special_lj, &stride,
&this->nbor->dev_packed, &this->ans->force,
&this->ans->engv, &this->dev_error, &eflag, &vflag,
&this->_last_ellipse, &ainum, &this->_threads_per_atom);
@ -302,13 +302,13 @@ void RESquaredT::loop(const bool _eflag, const bool _vflag) {
this->pack_nbors(NGX, BX, 0, this->ans->inum(),SPHERE_SPHERE,
ELLIPSE_ELLIPSE,_shared_types,_lj_types);
this->time_nbor1.stop();
this->time_ellipsoid.start();
this->time_ellipsoid.start();
this->k_ellipsoid.set_size(GX,BX);
this->k_ellipsoid.run(&this->atom->x, &this->atom->quat,
&this->shape, &this->well, &this->special_lj,
&this->sigma_epsilon, &this->_lj_types,
this->k_ellipsoid.run(&this->atom->x, &this->atom->quat,
&this->shape, &this->well, &this->special_lj,
&this->sigma_epsilon, &this->_lj_types,
&this->nbor->dev_nbor, &stride, &this->ans->force,
&ainum, &this->ans->engv, &this->dev_error,
&ainum, &this->ans->engv, &this->dev_error,
&eflag, &vflag, &ainum, &this->_threads_per_atom);
this->time_ellipsoid.stop();
}