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Fix LJ Simd4xN kernel

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Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
This commit is contained in:
Rafael Ravedutti 2022-03-11 01:12:59 +01:00
parent d79c3c2a1d
commit 8669f2f6d7
1 changed files with 3 additions and 3 deletions
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6
gromacs/force_lj.c
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@ -342,7 +342,7 @@ double computeForceLJ_4xn(Parameter *param, Atom *atom, Neighbor *neighbor, Stat
MD_SIMD_FLOAT fiz3 = simd_zero();
for(int k = 0; k < numneighs; k++) {
int cj = neighs[k + 0];
int cj = neighs[k];
int cj_vec_base = CJ_VECTOR_BASE_INDEX(cj);
MD_FLOAT *cj_x = &atom->cl_x[cj_vec_base];
MD_SIMD_FLOAT xj_tmp = simd_load(&cj_x[CL_X_OFFSET]);
@ -369,8 +369,8 @@ double computeForceLJ_4xn(Parameter *param, Atom *atom, Neighbor *neighbor, Stat
MD_SIMD_MASK excl_mask2 = simd_mask_from_u32((unsigned int)(0xf - 0x4 * cond0));
MD_SIMD_MASK excl_mask3 = simd_mask_from_u32((unsigned int)(0xf - 0x8 * cond0));
#elif CLUSTER_M < CLUSTER_N
int cond0 = (unsigned int)(cj == (ci << 1) + 0);
int cond1 = (unsigned int)(cj == (ci << 1) + 1);
int cond0 = (unsigned int)((cj << 1) + 0 == ci);
int cond1 = (unsigned int)((cj << 1) + 1 == ci);
MD_SIMD_MASK excl_mask0 = simd_mask_from_u32((unsigned int)(0xff - 0x1 * cond0 - 0x10 * cond1));
MD_SIMD_MASK excl_mask1 = simd_mask_from_u32((unsigned int)(0xff - 0x2 * cond0 - 0x20 * cond1));
MD_SIMD_MASK excl_mask2 = simd_mask_from_u32((unsigned int)(0xff - 0x4 * cond0 - 0x40 * cond1));