ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10667 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2013-08-23 14:41:20 +00:00
parent 4047288238
commit 402d1a8605
105 changed files with 2003 additions and 954 deletions
Download Patch File Download Diff File Expand all files Collapse all files

7
lib/gpu/lal_re_squared.cpp
View File

@ -74,7 +74,7 @@ int RESquaredT::init(const int ntypes, double **host_shape, double **host_well,
// Allocate a host write buffer for copying type data
UCL_H_Vec<numtyp> host_write(lj_types*lj_types*32,*(this->ucl_device),
UCL_WRITE_OPTIMIZED);
UCL_WRITE_ONLY);
for (int i=0; i<lj_types*lj_types; i++)
host_write[i]=0.0;
@ -95,7 +95,7 @@ int RESquaredT::init(const int ntypes, double **host_shape, double **host_well,
this->atom->type_pack4(ntypes,lj_types,lj3,host_write,host_lj3,host_lj4,
host_offset);
dev_error.alloc(1,*(this->ucl_device));
dev_error.alloc(1,*(this->ucl_device),UCL_WRITE_ONLY);
dev_error.zero();
// Allocate, cast and asynchronous memcpy of constant data
@ -260,6 +260,9 @@ void RESquaredT::loop(const bool _eflag, const bool _vflag) {
&this->_threads_per_atom);
this->time_ellipsoid3.stop();
} else {
GX=static_cast<int>(ceil(static_cast<double>(this->ans->inum()-
this->_last_ellipse)/
(BX/this->_threads_per_atom)));
this->ans->force.zero();
this->ans->engv.zero();
this->time_nbor1.zero();