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Fix exclusion masks and add SIMD debug tools

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Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
This commit is contained in:
Rafael Ravedutti
2022-02-02 21:54:18 +01:00
parent 4c5f013bf4
commit 9daf9e5f4d
5 changed files with 34 additions and 10 deletions
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24
gromacs/includes/simd.h
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@@ -21,11 +21,14 @@
* =======================================================================================
*/
#include <string.h>
#include <immintrin.h>
#include <zmmintrin.h>
#define MD_SIMD_FLOAT __m512d
#define MD_SIMD_MASK __mmask8
#define MD_SIMD_FLOAT __m512d
#define MD_SIMD_MASK __mmask8
#define SIMD_PRINT_REAL(a) simd_print_real(#a, a);
#define SIMD_PRINT_MASK(a) simd_print_mask(#a, a);
static inline MD_SIMD_FLOAT simd_broadcast(double scalar) { return _mm512_set1_pd(scalar); }
static inline MD_SIMD_FLOAT simd_zero() { return _mm512_set1_pd(0.0); }
@@ -35,7 +38,8 @@ static inline MD_SIMD_FLOAT simd_mul(MD_SIMD_FLOAT a, MD_SIMD_FLOAT b) { return
static inline MD_SIMD_FLOAT simd_fma(MD_SIMD_FLOAT a, MD_SIMD_FLOAT b, MD_SIMD_FLOAT c) { return _mm512_fmadd_pd(a, b, c); }
static inline MD_SIMD_FLOAT simd_reciprocal(MD_SIMD_FLOAT a) { return _mm512_rcp14_pd(a); }
static inline MD_SIMD_FLOAT simd_masked_add(MD_SIMD_FLOAT a, MD_SIMD_FLOAT b, MD_SIMD_MASK m) { return _mm512_mask_add_pd(a, m, a, b); }
static inline MD_SIMD_MASK simd_mask_from_u32(unsigned int m) { return _cvtu32_mask8(m); }
static inline MD_SIMD_MASK simd_mask_from_u32(unsigned int a) { return _cvtu32_mask8(a); }
static inline MD_SIMD_MASK simd_mask_to_u32(unsigned int a) { return _cvtmask8_u32(a); }
static inline MD_SIMD_MASK simd_mask_and(MD_SIMD_MASK a, MD_SIMD_MASK b) { return _kand_mask8(a, b); }
static inline MD_SIMD_MASK simd_mask_cond_lt(MD_SIMD_FLOAT a, MD_SIMD_FLOAT b) { return _mm512_cmp_pd_mask(a, b, _CMP_LT_OQ); }
@@ -59,3 +63,17 @@ static inline MD_FLOAT simd_horizontal_sum(MD_SIMD_FLOAT a) {
x = _mm512_add_pd(x, _mm512_permute_pd(x, 0x01));
return *((double *) &x);
}
static inline void simd_print_real(const char *ref, MD_SIMD_FLOAT a) {
double x[8];
memcpy(x, &a, sizeof(x));
fprintf(stdout, "%s: ", ref);
for(int i = 0; i < 8; i++) {
fprintf(stdout, "%f ", x[i]);
}
fprintf(stdout, "\n");
}
static inline void simd_print_mask(const char *ref, MD_SIMD_MASK a) { fprintf(stdout, "%s: %x\n", ref, simd_mask_to_u32(a)); }

4
gromacs/includes/util.h
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@@ -33,9 +33,9 @@
#define ABS(a) ((a) >= 0 ? (a) : -(a))
#endif
#ifdef DEBUG
#define DEBUG_MESSAGE(msg) printf
#define DEBUG_MESSAGE printf
#else
#define DEBUG_MESSAGE(msg)
#define DEBUG_MESSAGE
#endif
#define FF_LJ 0