#ifndef _nbnxn_pairlist_h
#define _nbnxn_pairlist_h
-#ifdef HAVE_CONFIG_H
-#include <config.h>
-#endif
#include "nblist.h"
-#include "../thread_mpi/atomic.h"
-
#ifdef __cplusplus
extern "C" {
#endif
typedef struct {
int cj; /* The j-cluster */
unsigned int excl; /* The exclusion (interaction) bits */
-#ifdef GMX_SIMD_IBM_QPX
/* Indices into the arrays of SIMD interaction masks. */
char interaction_mask_indices[4];
-#endif
} nbnxn_cj_t;
/* In nbnxn_ci_t the integer shift contains the shift in the lower 7 bits.
ljcrGEOM, ljcrLB, ljcrNONE, ljcrNR
};
+/* TODO: Remove need for forward declare */
+struct tMPI_Atomic;
+
typedef struct {
nbnxn_alloc_t *alloc;
nbnxn_free_t *free;
*/
unsigned int *simd_exclusion_filter1;
unsigned int *simd_exclusion_filter2;
-#ifdef GMX_SIMD_IBM_QPX
real *simd_interaction_array; /* Array of masks needed for exclusions on QPX */
-#endif
int nout; /* The number of force arrays */
nbnxn_atomdata_output_t *out; /* Output data structures */
int nalloc; /* Allocation size of all arrays (for x/f *x/fstride) */
gmx_bool bUseBufferFlags; /* Use the flags or operate on all atoms */
nbnxn_buffer_flags_t buffer_flags; /* Flags for buffer zeroing+reduc. */
gmx_bool bUseTreeReduce; /* Use tree for force reduction */
- tMPI_Atomic_t *syncStep; /* Synchronization step for tree reduce */
+ struct tMPI_Atomic *syncStep; /* Synchronization step for tree reduce */
} nbnxn_atomdata_t;
#ifdef __cplusplus