Removed unused variables (9f733fb3) · Commits · 郑智淋 / lammps

lib/gpu/lal_tersoff.cu

+6 −27

Original line number	Diff line number	Diff line
		@@ -184,7 +184,6 @@ __kernel void k_tersoff_short_nbor(const __global numtyp4 *restrict x_,
		n_stride,nbor_end,nbor);

		numtyp4 ix; fetch4(ix,i,pos_tex); //x_[i];
		int itype=ix.w;

		int ncount = 0;
		int m = nbor;
		@@ -198,7 +197,6 @@ __kernel void k_tersoff_short_nbor(const __global numtyp4 *restrict x_,
		j &= NEIGHMASK;

		numtyp4 jx; fetch4(jx,j,pos_tex); //x_[j];
		int jtype=jx.w;

		// Compute r12
		numtyp delx = ix.x-jx.x;
		@@ -303,7 +301,6 @@ __kernel void k_tersoff_zeta(const __global numtyp4 *restrict x_,
		delr1.y = jx.y-ix.y;
		delr1.z = jx.z-ix.z;
		numtyp rsq1 = delr1.xdelr1.x+delr1.ydelr1.y+delr1.z*delr1.z;
		//if (rsq1 >= cutsq[ijparam]) continue;

		// compute zeta_ij
		z = (acctyp)0;
		@@ -714,7 +711,7 @@ __kernel void k_tersoff_three_end(const __global numtyp4 *restrict x_,
		for (int i=0; i<6; i++)
		virial[i]=(acctyp)0;

		__local int red_acc[2*BLOCK_PAIR];
		__local int red_acc[BLOCK_PAIR];

		__syncthreads();

		@@ -748,7 +745,6 @@ __kernel void k_tersoff_three_end(const __global numtyp4 *restrict x_,
		numtyp4 jx; fetch4(jx,j,pos_tex); //x_[j];
		int jtype=jx.w;
		jtype=map[jtype];
		int ijparam=elem2param[itypenelementsnelements+jtype*nelements+jtype];

		// Compute r12
		numtyp delr1[3];
		@@ -756,7 +752,6 @@ __kernel void k_tersoff_three_end(const __global numtyp4 *restrict x_,
		delr1[1] = jx.y-ix.y;
		delr1[2] = jx.z-ix.z;
		numtyp rsq1 = delr1[0]delr1[0] + delr1[1]delr1[1] + delr1[2]*delr1[2];
		//if (rsq1 >= cutsq[ijparam]) continue;

		numtyp mdelr1[3];
		mdelr1[0] = -delr1[0];
		@@ -796,21 +791,14 @@ __kernel void k_tersoff_three_end(const __global numtyp4 *restrict x_,
		k &= NEIGHMASK;
		if (k == i) {
		ijnum = nbor_k;
		red_acc[2*m+0] = ijnum;
		red_acc[2*m+1] = offset_k;
		red_acc[m] = ijnum;
		break;
		}
		}

		numtyp r1 = ucl_sqrt(rsq1);
		numtyp r1inv = ucl_rsqrt(rsq1);
		int offset_kf;
		if (ijnum >= 0) {
		offset_kf = offset_k;
		} else {
		ijnum = red_acc[2*m+0];
		offset_kf = red_acc[2*m+1];
		}
		if (ijnum < 0) ijnum = red_acc[m];

		// idx to zetaij is shifted by n_stride relative to ijnum in dev_short_nbor
		int idx = ijnum;
		@@ -952,7 +940,7 @@ __kernel void k_tersoff_three_end_vatom(const __global numtyp4 *restrict x_,
		for (int i=0; i<6; i++)
		virial[i]=(acctyp)0;

		__local int red_acc[2*BLOCK_PAIR];
		__local int red_acc[BLOCK_PAIR];

		__syncthreads();

		@@ -986,7 +974,6 @@ __kernel void k_tersoff_three_end_vatom(const __global numtyp4 *restrict x_,
		numtyp4 jx; fetch4(jx,j,pos_tex); //x_[j];
		int jtype=jx.w;
		jtype=map[jtype];
		int ijparam=elem2param[itypenelementsnelements+jtype*nelements+jtype];

		// Compute r12
		numtyp delr1[3];
		@@ -994,7 +981,6 @@ __kernel void k_tersoff_three_end_vatom(const __global numtyp4 *restrict x_,
		delr1[1] = jx.y-ix.y;
		delr1[2] = jx.z-ix.z;
		numtyp rsq1 = delr1[0]delr1[0] + delr1[1]delr1[1] + delr1[2]*delr1[2];
		//if (rsq1 >= cutsq[ijparam]) continue;

		numtyp mdelr1[3];
		mdelr1[0] = -delr1[0];
		@@ -1034,21 +1020,14 @@ __kernel void k_tersoff_three_end_vatom(const __global numtyp4 *restrict x_,
		k &= NEIGHMASK;
		if (k == i) {
		ijnum = nbor_k;
		red_acc[2*m+0] = ijnum;
		red_acc[2*m+1] = offset_k;
		red_acc[m] = ijnum;
		break;
		}
		}

		numtyp r1 = ucl_sqrt(rsq1);
		numtyp r1inv = ucl_rsqrt(rsq1);
		int offset_kf;
		if (ijnum >= 0) {
		offset_kf = offset_k;
		} else {
		ijnum = red_acc[2*m+0];
		offset_kf = red_acc[2*m+1];
		}
		if (ijnum < 0) ijnum = red_acc[m];

		// idx to zetaij is shifted by n_stride relative to ijnum in dev_short_nbor
		int idx = ijnum;

Admin message