Simplify tip4p GPU memory resize using 'resize_ib' (ca8d1ac2) · Commits · 郑智淋 / lammps

lib/gpu/lal_lj_tip4p_long.cpp

+8 −11

Original line number	Diff line number	Diff line
		@@ -182,11 +182,12 @@ void LJ_TIP4PLong<numtyp, acctyp>::loop(const bool _eflag, const bool _vflag) {

		this->k_pair.set_size(GX,BX);
		if (vflag){
		this->ansO.resize(ainum*3);
		this->ansO.resize_ib(ainum*3);
		} else {
		this->ansO.resize(ainum);
		this->ansO.resize_ib(ainum);
		}
		this->ansO.zero();
		this->device->gpu->sync();
		this->k_pair.run(&this->atom->x, &lj1, &lj3, &_lj_types, &sp_lj,
		&this->nbor->dev_nbor, &this->_nbor_data->begin(),
		&this->ans->force, &this->ans->engv, &eflag, &vflag,
		@@ -210,28 +211,24 @@ void LJ_TIP4PLong<numtyp, acctyp>::copy_relations_data(int hn, double newsit
		int* tag, int map_array, int map_size, int sametag, int max_same, int ago){
		int nall = n;
		const int hn_sz = n4; // matrix size = col size col number
		if(hn_sz > hneight.cols()){
		hneight.resize(hn_sz+1);
		}
		hneight.resize_ib(hn_sz+1);
		if (ago == 0)
		hneight.zero();
		if(n > m.cols()){
		m.resize(n+1);
		}
		m.resize_ib(n+1);
		m.zero();

		UCL_H_Vec<int> host_tag_write(nall,*(this->ucl_device),UCL_WRITE_ONLY);
		if(this->tag.cols() < nall) this->tag.resize(nall);
		this->tag.resize_ib(nall);
		for(int i=0; i<nall; ++i) host_tag_write[i] = tag[i];
		ucl_copy(this->tag, host_tag_write, nall, false);

		if(max_same>host_tag_write.cols()) host_tag_write.resize(max_same);
		if(this->atom_sametag.cols() < nall) this->atom_sametag.resize(nall);
		this->atom_sametag.resize_ib(nall);
		for(int i=0; i<nall; ++i) host_tag_write[i] = sametag[i];
		ucl_copy(this->atom_sametag, host_tag_write, nall, false);

		if(map_size>host_tag_write.cols()) host_tag_write.resize(map_size);
		if(this->map_array.cols() < map_size) this->map_array.resize(map_size);
		this->map_array.resize_ib(map_size);
		for(int i=0; i<map_size; ++i) host_tag_write[i] = map_array[i];
		ucl_copy(this->map_array, host_tag_write, map_size, false);

Admin message