Merge pull request #358 from ibaned/warnings (5971d4c9) · Commits · 郑智淋 / lammps

src/KOKKOS/math_special_kokkos.h

+3 −4

Original line number	Diff line number	Diff line
		@@ -42,12 +42,11 @@ namespace MathSpecialKokkos {
		{
		x *= x;
		x *= 1.4426950408889634074; // log_2(e)
		#if defined(__BYTE_ORDER__)
		#if __BYTE_ORDER__ == __ORDER_LITTLE_ENDIAN__
		#if defined(__BYTE_ORDER__) && __BYTE_ORDER__ == __ORDER_LITTLE_ENDIAN__
		return (x < 1023.0) ? exp2_x86(-x) : 0.0;
		#endif
		#endif
		#else
		return (x < 1023.0) ? exp2(-x) : 0.0;
		#endif
		}

		// x**2, use instead of pow(x,2.0)

+3 −3

Original line number	Diff line number	Diff line
		@@ -147,9 +147,9 @@ void NeighborKokkos::init_ex_mol_bit_kokkos()
		int NeighborKokkos::check_distance()
		{
		if (device_flag)
		check_distance_kokkos<LMPDeviceType>();
		return check_distance_kokkos<LMPDeviceType>();
		else
		check_distance_kokkos<LMPHostType>();
		return check_distance_kokkos<LMPHostType>();
		}

		template<class DeviceType>
		@@ -157,7 +157,7 @@ int NeighborKokkos::check_distance_kokkos()
		{
		typedef DeviceType device_type;

		double delx,dely,delz,rsq;
		double delx,dely,delz;
		double delta,delta1,delta2;

		if (boxcheck) {

+2 −0

Original line number	Diff line number	Diff line
		@@ -44,7 +44,9 @@ class PairBuckCoulCutKokkos : public PairBuckCoulCut {
		double init_one(int, int);

		struct params_buck_coul{
		KOKKOS_INLINE_FUNCTION
		params_buck_coul(){cut_ljsq=0;cut_coulsq=0;a=0;c=0;rhoinv=0;buck1=0;buck2=0;offset=0;};
		KOKKOS_INLINE_FUNCTION
		params_buck_coul(int i){cut_ljsq=0;cut_coulsq=0;a=0;c=0;rhoinv=0;buck1=0;buck2=0;offset=0;};
		F_FLOAT cut_ljsq,cut_coulsq,a,c,rhoinv,buck1,buck2,offset;
		};

+2 −0

Original line number	Diff line number	Diff line
		@@ -45,7 +45,9 @@ class PairBuckCoulLongKokkos : public PairBuckCoulLong {
		double init_one(int, int);

		struct params_buck_coul{
		KOKKOS_INLINE_FUNCTION
		params_buck_coul(){cut_ljsq=0;cut_coulsq=0;a=0;c=0;rhoinv=0;buck1=0;buck2=0;offset=0;};
		KOKKOS_INLINE_FUNCTION
		params_buck_coul(int i){cut_ljsq=0;cut_coulsq=0;a=0;c=0;rhoinv=0;buck1=0;buck2=0;offset=0;};
		F_FLOAT cut_ljsq,cut_coulsq,a,c,rhoinv,buck1,buck2,offset;
		};

+2 −0

Original line number	Diff line number	Diff line
		@@ -43,7 +43,9 @@ class PairBuckKokkos : public PairBuck {
		double init_one(int, int);

		struct params_buck{
		KOKKOS_INLINE_FUNCTION
		params_buck(){cutsq=0;a=0;c=0;rhoinv=0;buck1=0;buck2=0;offset=0;};
		KOKKOS_INLINE_FUNCTION
		params_buck(int i){cutsq=0;a=0;c=0;rhoinv=0;buck1=0;buck2=0;offset=0;};
		F_FLOAT cutsq,a,c,rhoinv,buck1,buck2,offset;
		};