moebiusband/MD-Bench
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity

Fix AVX2 versions with half neighbor lists

Browse Source 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
This commit is contained in:
Rafael Ravedutti 2022-03-27 16:39:39 +02:00
parent 0e742766b7
commit fdbeed4368
2 changed files with 20 additions and 0 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

7
gromacs/includes/simd/avx_avx2_double.h
View File

@ -40,6 +40,8 @@ static inline MD_SIMD_FLOAT simd_add(MD_SIMD_FLOAT a, MD_SIMD_FLOAT b) { return
static inline MD_SIMD_FLOAT simd_sub(MD_SIMD_FLOAT a, MD_SIMD_FLOAT b) { return _mm256_sub_pd(a, b); }
static inline MD_SIMD_FLOAT simd_mul(MD_SIMD_FLOAT a, MD_SIMD_FLOAT b) { return _mm256_mul_pd(a, b); }
static inline MD_SIMD_FLOAT simd_load(MD_FLOAT *p) { return _mm256_load_pd(p); }
static inline void simd_store(MD_FLOAT *p, MD_SIMD_FLOAT a) { _mm256_store_pd(p, a); }
static inline MD_SIMD_FLOAT select_by_mask(MD_SIMD_FLOAT a, MD_SIMD_MASK m) { return _mm256_mask_mov_pd(_mm256_setzero_pd(), m, a); }
static inline MD_SIMD_FLOAT simd_load_h_duplicate(const MD_FLOAT *m) {
MD_SIMD_FLOAT ret;
fprintf(stderr, "simd_load_h_duplicate(): Not implemented for AVX/AVX2 with double precision!");
@ -123,4 +125,9 @@ static inline MD_FLOAT simd_h_reduce_sum(MD_SIMD_FLOAT a) {
return *((MD_FLOAT *) &a0);
}
static inline void simd_h_decr3(MD_FLOAT *m, MD_SIMD_FLOAT a0, MD_SIMD_FLOAT a1, MD_SIMD_FLOAT a2) {
fprintf(stderr, "simd_h_decr3(): Not implemented for AVX/AVX2 with double precision!");
exit(-1);
}
#endif

13
gromacs/includes/simd/avx_avx2_float.h
View File

@ -33,6 +33,8 @@ static inline MD_SIMD_FLOAT simd_add(MD_SIMD_FLOAT a, MD_SIMD_FLOAT b) { return
static inline MD_SIMD_FLOAT simd_sub(MD_SIMD_FLOAT a, MD_SIMD_FLOAT b) { return _mm256_sub_ps(a, b); }
static inline MD_SIMD_FLOAT simd_mul(MD_SIMD_FLOAT a, MD_SIMD_FLOAT b) { return _mm256_mul_ps(a, b); }
static inline MD_SIMD_FLOAT simd_load(MD_FLOAT *p) { return _mm256_load_ps(p); }
static inline void simd_store(MD_FLOAT *p, MD_SIMD_FLOAT a) { _mm256_store_ps(p, a); }
static inline MD_SIMD_FLOAT select_by_mask(MD_SIMD_FLOAT a, MD_SIMD_MASK m) { return _mm256_mask_mov_ps(_mm256_setzero_ps(), m, a); }
static inline MD_SIMD_FLOAT simd_reciprocal(MD_SIMD_FLOAT a) { return _mm256_rcp14_ps(a); }
static inline MD_SIMD_FLOAT simd_fma(MD_SIMD_FLOAT a, MD_SIMD_FLOAT b, MD_SIMD_FLOAT c) { return _mm256_fmadd_ps(a, b, c); }
static inline MD_SIMD_FLOAT simd_masked_add(MD_SIMD_FLOAT a, MD_SIMD_FLOAT b, MD_SIMD_MASK m) { return _mm256_mask_add_ps(a, m, a, b); }
@ -86,3 +88,14 @@ static inline MD_FLOAT simd_h_dual_incr_reduced_sum(MD_FLOAT *m, MD_SIMD_FLOAT v
t0 = _mm_add_ss(t0, _mm_permute_ps(t0, _MM_SHUFFLE(0, 3, 2, 1)));
return *((MD_FLOAT *) &t0);
}
inline void simd_h_decr(MD_FLOAT *m, MD_SIMD_FLOAT a) {
__m128 asum = _mm_add_ps(_mm256_castps256_ps128(a), _mm256_extractf128_ps(a, 0x1));
_mm_store_ps(m, _mm_sub_ps(_mm_load_ps(m), asum));
}
static inline void simd_h_decr3(MD_FLOAT *m, MD_SIMD_FLOAT a0, MD_SIMD_FLOAT a1, MD_SIMD_FLOAT a2) {
simd_h_decr(m, a0);
simd_h_decr(m + CLUSTER_N, a1);
simd_h_decr(m + CLUSTER_N * 2, a2);
}