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Add diagonal checks

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Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
This commit is contained in:
Rafael Ravedutti
2023-03-23 02:17:27 +01:00
parent 296a4c4e01
commit d138f975f6
3 changed files with 64 additions and 9 deletions
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4
gromacs/includes/atom.h
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@@ -33,12 +33,14 @@
# if VECTOR_WIDTH > CLUSTER_M * 2
# define KERNEL_NAME "Simd2xNN"
# define CLUSTER_N (VECTOR_WIDTH / 2)
# define UNROLL_I 4
# define UNROLL_J 2
# define computeForceLJ computeForceLJ_2xnn
// Simd4xN
# else
# define KERNEL_NAME "Simd4xN"
# define CLUSTER_N VECTOR_WIDTH
# define UNROLL_I 4
# define UNROLL_J 1
# define computeForceLJ computeForceLJ_4xn
# endif
@@ -120,6 +122,8 @@ typedef struct {
int *icluster_bin;
int dummy_cj;
MD_UINT *exclusion_filter;
MD_FLOAT *diagonal_4xn_j_minus_i;
MD_FLOAT *diagonal_2xnn_j_minus_i;
} Atom;
extern void initAtom(Atom*);