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

Attempted to resolve issues with switching from acctyp4 to acctyp3 in tep, fieldp since the changes in PR #3675, noting some changes with Intel OCL PR #3663

Browse Source
This commit is contained in:
Trung Nguyen
2023-07-08 00:50:19 -05:00
parent 146245e6ae
commit d6412dc97b
5 changed files with 46 additions and 37 deletions
Download Patch File Download Diff File Expand all files Collapse all files

16
lib/gpu/lal_hippo.cpp
View File

@ -211,7 +211,7 @@ void HippoT::compute_repulsion(const int /*ago*/, const int inum_full,
if (inum_full>this->_max_tep_size) {
this->_max_tep_size=static_cast<int>(static_cast<double>(inum_full)*1.10);
this->_tep.resize(this->_max_tep_size*4);
this->_tep.resize(this->_max_tep_size*3);
}
*tep_ptr=this->_tep.host.begin();
@ -226,7 +226,7 @@ void HippoT::compute_repulsion(const int /*ago*/, const int inum_full,
repulsion(this->_eflag,this->_vflag);
// copy tep from device to host
this->_tep.update_host(this->_max_tep_size*4,false);
this->_tep.update_host(this->_max_tep_size*3,false);
}
// ---------------------------------------------------------------------------
@ -366,7 +366,7 @@ void HippoT::compute_multipole_real(const int /*ago*/, const int inum_full,
if (inum_full>this->_max_tep_size) {
this->_max_tep_size=static_cast<int>(static_cast<double>(inum_full)*1.10);
this->_tep.resize(this->_max_tep_size*4);
this->_tep.resize(this->_max_tep_size*3);
}
*tep_ptr=this->_tep.host.begin();
@ -376,7 +376,7 @@ void HippoT::compute_multipole_real(const int /*ago*/, const int inum_full,
multipole_real(this->_eflag,this->_vflag);
// copy tep from device to host
this->_tep.update_host(this->_max_tep_size*4,false);
this->_tep.update_host(this->_max_tep_size*3,false);
}
// ---------------------------------------------------------------------------
@ -434,6 +434,10 @@ void HippoT::compute_udirect2b(int * /*host_amtype*/, int * /*host_amgroup*/, do
this->cast_extra_data(nullptr, nullptr, nullptr, host_uind, host_uinp, host_pval);
this->atom->add_extra_data();
if (this->_max_tep_size>this->_max_fieldp_size) {
this->_max_fieldp_size = this->_max_tep_size;
this->_fieldp.resize(this->_max_fieldp_size*6);
}
*fieldp_ptr=this->_fieldp.host.begin();
this->_off2_polar = off2_polar;
@ -442,7 +446,7 @@ void HippoT::compute_udirect2b(int * /*host_amtype*/, int * /*host_amgroup*/, do
// copy field and fieldp from device to host (_fieldp store both arrays, one after another)
this->_fieldp.update_host(this->_max_fieldp_size*8,false);
this->_fieldp.update_host(this->_max_fieldp_size*6,false);
}
// ---------------------------------------------------------------------------
@ -580,7 +584,7 @@ void HippoT::compute_polar_real(int * /*host_amtype*/, int * /*host_amgroup*/, d
this->device->add_ans_object(this->ans);
// copy tep from device to host
this->_tep.update_host(this->_max_tep_size*4,false);
this->_tep.update_host(this->_max_tep_size*3,false);
}
// ---------------------------------------------------------------------------