moebiusband/MD-Bench
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Commit version that works for M=N

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Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
This commit is contained in:
Rafael Ravedutti
2022-03-10 01:31:50 +01:00
parent 2b441e691e
commit 22d0f0b958
6 changed files with 51 additions and 25 deletions
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14
gromacs/includes/atom.h
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@@ -33,12 +33,23 @@
// Simd4xN: M=4, N=VECTOR_WIDTH
// Simd2xNN: M=4, N=(VECTOR_WIDTH/2)
// Simd2XNN (here used for single-precision)
// Simd2xNN (here used for single-precision)
#if VECTOR_WIDTH > CLUSTER_M * 2
# define KERNEL_NAME "Simd2xNN"
# define CLUSTER_N (VECTOR_WIDTH / 2)
# define computeForceLJ computeForceLJ_2xnn
// Simd4xN
#else
# define KERNEL_NAME "Simd4xN"
# define CLUSTER_N VECTOR_WIDTH
# define computeForceLJ computeForceLJ_4xn
#endif
#ifdef USE_REFERENCE_VERSION
# undef KERNEL_NAME
# undef computeForceLJ
# define KERNEL_NAME "Reference"
# define computeForceLJ computeForceLJ_ref
#endif
#if CLUSTER_M == CLUSTER_N
@@ -105,6 +116,7 @@ typedef struct {
MD_FLOAT *cl_f;
int *cl_type;
Cluster *iclusters, *jclusters;
int *icluster_bin;
} Atom;
extern void initAtom(Atom*);