Fix issues in atom_vec_sphere_kokkos (55980294) · Commits · 郑智淋 / lammps

src/KOKKOS/atom_vec_sphere_kokkos.cpp

+15 −15

Original line number	Diff line number	Diff line
		@@ -1005,9 +1005,9 @@ struct AtomVecSphereKokkos_PackBorder {
		_buf(i,1) = _x(j,1) + _dy;
		_buf(i,2) = _x(j,2) + _dz;
		}
		_buf(i,3) = _tag(j);
		_buf(i,4) = _type(j);
		_buf(i,5) = _mask(j);
		_buf(i,3) = d_ubuf(_tag(j)).d;
		_buf(i,4) = d_ubuf(_type(j)).d;
		_buf(i,5) = d_ubuf(_mask(j)).d;
		_buf(i,6) = _radius(j);
		_buf(i,7) = _rmass(j);
		}
		@@ -1066,7 +1066,7 @@ int AtomVecSphereKokkos::pack_border_kokkos(int n, DAT::tdual_int_2d k_sendlist,
		Kokkos::parallel_for(n,f);
		}
		}
		return n*6;
		return n*8;
		}

		/* ---------------------------------------------------------------------- */
		@@ -1264,9 +1264,9 @@ struct AtomVecSphereKokkos_UnpackBorder {
		_x(i+_first,0) = _buf(i,0);
		_x(i+_first,1) = _buf(i,1);
		_x(i+_first,2) = _buf(i,2);
		_tag(i+_first) = static_cast<int> (_buf(i,3));
		_type(i+_first) = static_cast<int> (_buf(i,4));
		_mask(i+_first) = static_cast<int> (_buf(i,5));
		_tag(i+_first) = static_cast<tagint> (d_ubuf(_buf(i,3)).i);
		_type(i+_first) = static_cast<int> (d_ubuf(_buf(i,4)).i);
		_mask(i+_first) = static_cast<int> (d_ubuf(_buf(i,5)).i);
		_radius(i+_first) = _buf(i,6);
		_rmass(i+_first) = _buf(i,7);
		}
		@@ -1440,10 +1440,10 @@ struct AtomVecSphereKokkos_PackExchangeFunctor {
		_buf(mysend,4) = _v(i,0);
		_buf(mysend,5) = _v(i,1);
		_buf(mysend,6) = _v(i,2);
		_buf(mysend,7) = _tag[i];
		_buf(mysend,8) = _type[i];
		_buf(mysend,9) = _mask[i];
		_buf(mysend,10) = _image[i];
		_buf(mysend,7) = d_ubuf(_tag[i]).d;
		_buf(mysend,8) = d_ubuf(_type[i]).d;
		_buf(mysend,9) = d_ubuf(_mask[i]).d;
		_buf(mysend,10) = d_ubuf(_image[i]).d;
		_buf(mysend,11) = _radius[i];
		_buf(mysend,12) = _rmass[i];
		_buf(mysend,13) = _omega(i,0);
		@@ -1584,10 +1584,10 @@ struct AtomVecSphereKokkos_UnpackExchangeFunctor {
		_v(i,0) = _buf(myrecv,4);
		_v(i,1) = _buf(myrecv,5);
		_v(i,2) = _buf(myrecv,6);
		_tag[i] = _buf(myrecv,7);
		_type[i] = _buf(myrecv,8);
		_mask[i] = _buf(myrecv,9);
		_image[i] = _buf(myrecv,10);
		_tag[i] = (tagint) d_ubuf(_buf(myrecv,7)).i;
		_type[i] = (int) d_ubuf(_buf(myrecv,8)).i;
		_mask[i] = (int) d_ubuf(_buf(myrecv,9)).i;
		_image[i] = (imageint) d_ubuf(_buf(myrecv,10)).i;
		_radius[i] = _buf(myrecv,11);
		_rmass[i] = _buf(myrecv,12);
		_omega(i,0) = _buf(myrecv,13);

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