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Fix code for AVX and remove warnings

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Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
This commit is contained in:
Rafael Ravedutti
2022-11-08 15:30:37 +01:00
parent 437b380229
commit 493915fe95
10 changed files with 51 additions and 36 deletions
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8
common/eam_utils.c
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@@ -54,10 +54,10 @@ void read_eam_file(Funcfl* file, const char* filename) {
}
int tmp;
fgets(line, MAXLINE, fptr);
fgets(line, MAXLINE, fptr);
readline(line, fptr);
readline(line, fptr);
sscanf(line, "%d %lg", &tmp, &(file->mass));
fgets(line, MAXLINE, fptr);
readline(line, fptr);
sscanf(line, "%d %lg %d %lg %lg", &file->nrho, &file->drho, &file->nr, &file->dr, &file->cut);
//printf("Read: %lf %i %lf %i %lf %lf\n",file->mass,file->nrho,file->drho,file->nr,file->dr,file->cut);
@@ -261,7 +261,7 @@ void grab(FILE* fptr, int n, MD_FLOAT* list) {
int i = 0;
while(i < n) {
fgets(line, MAXLINE, fptr);
readline(line, fptr);
ptr = strtok(line, " \t\n\r\f");
list[i++] = atof(ptr);
while(ptr = strtok(NULL, " \t\n\r\f")) list[i++] = atof(ptr);

7
common/includes/simd/avx_avx2_double.h
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@@ -71,6 +71,7 @@ static inline MD_SIMD_FLOAT simd_reciprocal(MD_SIMD_FLOAT a) { return _mm256_cvt
static inline MD_SIMD_FLOAT simd_fma(MD_SIMD_FLOAT a, MD_SIMD_FLOAT b, MD_SIMD_FLOAT c) { return simd_add(simd_mul(a, b), c); }
static inline MD_SIMD_FLOAT simd_masked_add(MD_SIMD_FLOAT a, MD_SIMD_FLOAT b, MD_SIMD_MASK m) { return simd_add(a, _mm256_and_pd(b, m)); }
static inline MD_SIMD_MASK simd_mask_cond_lt(MD_SIMD_FLOAT a, MD_SIMD_FLOAT b) { return _mm256_cmp_pd(a, b, _CMP_LT_OQ); }
static inline MD_SIMD_MASK simd_mask_int_cond_lt(MD_SIMD_INT a, MD_SIMD_INT b) { return _mm256_cvtepi32_pd(_mm_cmplt_epi32(a, b)); }
static inline MD_SIMD_MASK simd_mask_and(MD_SIMD_MASK a, MD_SIMD_MASK b) { return _mm256_and_pd(a, b); }
// TODO: Initialize all diagonal cases and just select the proper one (all bits set or diagonal) based on cond0
static inline MD_SIMD_MASK simd_mask_from_u32(unsigned int a) {
@@ -96,6 +97,7 @@ static inline MD_SIMD_FLOAT simd_reciprocal(MD_SIMD_FLOAT a) { return _mm256_rcp
static inline MD_SIMD_FLOAT simd_fma(MD_SIMD_FLOAT a, MD_SIMD_FLOAT b, MD_SIMD_FLOAT c) { return _mm256_fmadd_pd(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_pd(a, m, a, b); }
static inline MD_SIMD_MASK simd_mask_cond_lt(MD_SIMD_FLOAT a, MD_SIMD_FLOAT b) { return _mm256_cmp_pd_mask(a, b, _CMP_LT_OQ); }
static inline MD_SIMD_MASK simd_mask_int_cond_lt(MD_SIMD_INT a, MD_SIMD_INT b) { return _mm_cmplt_epi32_mask(a, b); }
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_from_u32(unsigned int a) { return _cvtu32_mask8(a); }
static inline unsigned int simd_mask_to_u32(MD_SIMD_MASK a) { return _cvtmask8_u32(a); }
@@ -109,13 +111,13 @@ static inline MD_FLOAT simd_h_reduce_sum(MD_SIMD_FLOAT a) {
return *((MD_FLOAT *) &a0);
}
#endif
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
// Functions used in LAMMPS kernel
static inline MD_SIMD_FLOAT simd_gather(MD_SIMD_INT vidx, const MD_FLOAT *m, int s) { return _mm256_i32gather_pd(m, vidx, s); }
static inline MD_SIMD_INT simd_int_broadcast(int scalar) { return _mm_set1_epi32(scalar); }
@@ -125,4 +127,3 @@ static inline MD_SIMD_INT simd_int_load(const int *m) { return _mm_load_si128((_
static inline MD_SIMD_INT simd_int_add(MD_SIMD_INT a, MD_SIMD_INT b) { return _mm_add_epi32(a, b); }
static inline MD_SIMD_INT simd_int_mul(MD_SIMD_INT a, MD_SIMD_INT b) { return _mm_mul_epi32(a, b); }
static inline MD_SIMD_INT simd_int_mask_load(const int *m, MD_SIMD_MASK k) { return simd_int_load(m) & _mm256_cvtpd_epi32(k); }
static inline MD_SIMD_MASK simd_mask_int_cond_lt(MD_SIMD_INT a, MD_SIMD_INT b) { return _mm256_cvtepi32_pd(_mm_cmplt_epi32(a, b)); }

1
common/includes/util.h
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@@ -44,5 +44,6 @@ extern void random_reset(int *seed, int ibase, double *coord);
extern int str2ff(const char *string);
extern const char* ff2str(int ff);
extern int get_num_threads();
extern void readline(char *line, FILE *fp);
#endif

2
common/parameter.c
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@@ -67,7 +67,7 @@ void readParameter(Parameter *param, const char *filename) {
while(!feof(fp)) {
line[0] = '\0';
fgets(line, MAXLINE, fp);
readline(line, fp);
for(i = 0; line[i] != '\0' && line[i] != '#'; i++);
line[i] = '\0';

8
common/util.c
View File

@@ -4,6 +4,7 @@
* Use of this source code is governed by a LGPL-3.0
* license that can be found in the LICENSE file.
*/
#include <stdio.h>
#include <stdlib.h>
#include <string.h>
#include <util.h>
@@ -80,3 +81,10 @@ int get_num_threads() {
const char *num_threads_env = getenv("NUM_THREADS");
return (num_threads_env == NULL) ? 32 : atoi(num_threads_env);
}
void readline(char *line, FILE *fp) {
if(fgets(line, MAXLINE, fp) == NULL) {
fprintf(stderr, "readline(): Error: could not read line!\n");
exit(-1);
}
}