Fix warning with #pragma unroll (72f3c380) · Commits · 郑智淋 / lammps

src/KOKKOS/kokkos_type.h

+6 −0

Original line number	Diff line number	Diff line
		@@ -1129,4 +1129,10 @@ struct alignas(32) CayleyKleinPack {
		#define LAMMPS_LAMBDA [=]
		#endif

		#ifdef LMP_KOKKOS_GPU
		#if defined(__CUDA_ARCH__) \|\| defined(__HIP_DEVICE_COMPILE__)
		#define LMP_KK_DEVICE_COMPILE
		#endif
		#endif

		#endif

+8 −0

Original line number	Diff line number	Diff line
		@@ -599,14 +599,18 @@ void SNAKokkos<DeviceType>::compute_zi(const int& iatom_mod, const int& jjz, con
		int jju2 = idxu_block[j2] + (j2+1)*mb2max;
		int icgb = mb1min*(j2+1) + mb2max;

		#ifdef LMP_KK_DEVICE_COMPILE
		#pragma unroll
		#endif
		for(int ib = 0; ib < nb; ib++) {

		int ma1 = ma1min;
		int ma2 = ma2max;
		int icga = ma1min*(j2+1) + ma2max;

		#ifdef LMP_KK_DEVICE_COMPILE
		#pragma unroll
		#endif
		for(int ia = 0; ia < na; ia++) {
		const SNAcomplex utot1 = ulisttot_pack(iatom_mod, jju1+ma1, elem1, iatom_div);
		const SNAcomplex utot2 = ulisttot_pack(iatom_mod, jju2+ma2, elem2, iatom_div);
		@@ -767,14 +771,18 @@ void SNAKokkos<DeviceType>::compute_yi(int iatom_mod, int jjz, int iatom_div,
		int jju2 = idxu_block[j2] + (j2 + 1) * mb2max;
		int icgb = mb1min * (j2 + 1) + mb2max;

		#ifdef LMP_KK_DEVICE_COMPILE
		#pragma unroll
		#endif
		for (int ib = 0; ib < nb; ib++) {

		int ma1 = ma1min;
		int ma2 = ma2max;
		int icga = ma1min*(j2+1) + ma2max;

		#ifdef LMP_KK_DEVICE_COMPILE
		#pragma unroll
		#endif
		for (int ia = 0; ia < na; ia++) {
		const SNAcomplex utot1 = ulisttot_pack(iatom_mod,jju1+ma1,elem1,iatom_div);
		const SNAcomplex utot2 = ulisttot_pack(iatom_mod,jju2+ma2,elem2,iatom_div);