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Optimize partial forces reduction for compute_4xn kernel

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Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
This commit is contained in:
Rafael Ravedutti
2022-03-16 17:54:52 +01:00
parent f3263a2d48
commit 4090f43095
2 changed files with 44 additions and 7 deletions
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30
gromacs/includes/simd/avx512_double.h
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@@ -29,7 +29,7 @@
#define MD_SIMD_FLOAT __m512d
#define MD_SIMD_MASK __mmask8
static inline MD_SIMD_FLOAT simd_broadcast(double scalar) { return _mm512_set1_pd(scalar); }
static inline MD_SIMD_FLOAT simd_broadcast(MD_FLOAT scalar) { return _mm512_set1_pd(scalar); }
static inline MD_SIMD_FLOAT simd_zero() { return _mm512_set1_pd(0.0); }
static inline MD_SIMD_FLOAT simd_add(MD_SIMD_FLOAT a, MD_SIMD_FLOAT b) { return _mm512_add_pd(a, b); }
static inline MD_SIMD_FLOAT simd_sub(MD_SIMD_FLOAT a, MD_SIMD_FLOAT b) { return _mm512_sub_pd(a, b); }
@@ -50,15 +50,37 @@ static inline MD_FLOAT simd_h_reduce_sum(MD_SIMD_FLOAT a) {
return *((MD_FLOAT *) &x);
}
static inline MD_SIMD_FLOAT simd_load_h_duplicate(const double* m) {
static inline MD_FLOAT simd_incr_reduced_sum(MD_FLOAT *m, MD_SIMD_FLOAT v0, MD_SIMD_FLOAT v1, MD_SIMD_FLOAT v2, MD_SIMD_FLOAT v3) {
__m512d t0, t2;
__m256d t3, t4;
t0 = _mm512_add_pd(v0, _mm512_permute_pd(v0, 0x55));
t2 = _mm512_add_pd(v2, _mm512_permute_pd(v2, 0x55));
t0 = _mm512_mask_add_pd(t0, simd_mask_from_u32(0xaa), v1, _mm512_permute_pd(v1, 0x55));
t2 = _mm512_mask_add_pd(t2, simd_mask_from_u32(0xaa), v3, _mm512_permute_pd(v3, 0x55));
t0 = _mm512_add_pd(t0, _mm512_shuffle_f64x2(t0, t0, 0x4e));
t0 = _mm512_mask_add_pd(t0, simd_mask_from_u32(0xF0), t2, _mm512_shuffle_f64x2(t2, t2, 0x4e));
t0 = _mm512_add_pd(t0, _mm512_shuffle_f64x2(t0, t0, 0xb1));
t0 = _mm512_mask_shuffle_f64x2(t0, simd_mask_from_u32(0x0C), t0, t0, 0xee);
t3 = _mm512_castpd512_pd256(t0);
t4 = _mm256_load_pd(m);
t4 = _mm256_add_pd(t4, t3);
_mm256_store_pd(m, t4);
t0 = _mm512_add_pd(t0, _mm512_permutex_pd(t0, 0x4e));
t0 = _mm512_add_pd(t0, _mm512_permutex_pd(t0, 0xb1));
return _mm_cvtsd_f64(_mm512_castpd512_pd128(t0));
}
static inline MD_SIMD_FLOAT simd_load_h_duplicate(const MD_FLOAT *m) {
return _mm512_broadcast_f64x4(_mm256_load_pd(m));
}
static inline MD_SIMD_FLOAT simd_load_h_dual(const double* m) {
static inline MD_SIMD_FLOAT simd_load_h_dual(const MD_FLOAT *m) {
return _mm512_insertf64x4(_mm512_broadcastsd_pd(_mm_load_sd(m)), _mm256_broadcastsd_pd(_mm_load_sd(m + 1)), 1);
}
static inline double simd_h_dual_reduce_sum(double* m, MD_SIMD_FLOAT v0, MD_SIMD_FLOAT v1) {
static inline MD_FLOAT simd_h_dual_incr_reduced_sum(MD_FLOAT *m, MD_SIMD_FLOAT v0, MD_SIMD_FLOAT v1) {
__m512d t0;
__m256d t2, t3;