ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

modernize. turn static inline into just inline

Browse Source
This commit is contained in:
Axel Kohlmeyer
2025-06-27 23:58:11 -04:00
parent d168de00db
commit 1b36451f6a
1 changed files with 135 additions and 140 deletions
Download Patch File Download Diff File Expand all files Collapse all files

63
src/OPENMP/thr_omp.h
View File

@ -50,15 +50,13 @@ class ThrOMP {
double memory_usage_thr(); double memory_usage_thr();
inline void sync_threads() inline void sync_threads(){
{
#if defined(_OPENMP) #if defined(_OPENMP)
#pragma omp barrier #pragma omp barrier
#endif #endif
{ {;
;
} }
}; }; // namespace LAMMPS_NS
enum { enum {
THR_NONE = 0, THR_NONE = 0,
@ -78,8 +76,8 @@ class ThrOMP {
void ev_setup_thr(int, int, int, double *, double **, double **, ThrData *); void ev_setup_thr(int, int, int, double *, double **, double **, ThrData *);
// compute global per thread virial contribution from per-thread force // compute global per thread virial contribution from per-thread force
void virial_fdotr_compute_thr(double *const, const double *const *const, void virial_fdotr_compute_thr(double *const, const double *const *const, const double *const *const,
const double *const *const, const int, const int, const int); const int, const int, const int);
// reduce per thread data as needed // reduce per thread data as needed
void reduce_thr(void *const style, const int eflag, const int vflag, ThrData *const thr); void reduce_thr(void *const style, const int eflag, const int vflag, ThrData *const thr);
@ -158,34 +156,32 @@ class ThrOMP {
const double, const double, const double, const double, ThrData *const); const double, const double, const double, const double, ThrData *const);
// Angle // Angle
void ev_tally_thr(Angle *const, const int, const int, const int, const int, const int, void ev_tally_thr(Angle *const, const int, const int, const int, const int, const int, const double,
const double, const double *const, const double *const, const double, const double *const, const double *const, const double, const double,
const double, const double, const double, const double, const double, const double, const double, const double, const double, ThrData *const thr);
ThrData *const thr);
void ev_tally13_thr(Angle *const, const int, const int, const int, const int, const double, void ev_tally13_thr(Angle *const, const int, const int, const int, const int, const double,
const double, const double, const double, const double, ThrData *const thr); const double, const double, const double, const double, ThrData *const thr);
// Dihedral // Dihedral
void ev_tally_thr(Dihedral *const, const int, const int, const int, const int, const int, void ev_tally_thr(Dihedral *const, const int, const int, const int, const int, const int, const int,
const int, const double, const double *const, const double *const, const double, const double *const, const double *const, const double *const,
const double *const, const double, const double, const double, const double,
const double, const double, const double, const double, const double, const double, const double, const double, const double, const double,
ThrData *const); const double, const double, const double, const double, ThrData *const);
// Improper // Improper
void ev_tally_thr(Improper *const, const int, const int, const int, const int, const int, void ev_tally_thr(Improper *const, const int, const int, const int, const int, const int, const int,
const int, const double, const double *const, const double *const, const double, const double *const, const double *const, const double *const,
const double *const, const double, const double, const double, const double,
const double, const double, const double, const double, const double, const double, const double, const double, const double, const double,
ThrData *const); const double, const double, const double, const double, ThrData *const);
// style independent versions // style independent versions
void ev_tally_list_thr(Pair *const, const int, const int *const, const double *const, void ev_tally_list_thr(Pair *const, const int, const int *const, const double *const, const double,
const double, const double, ThrData *const); const double, ThrData *const);
}; }
;
// set loop range thread id, and force array offset for threaded runs. // set loop range thread id, and force array offset for threaded runs.
static inline void loop_setup_thr(int &ifrom, int &ito, int &tid, int inum, int nthreads) inline void loop_setup_thr(int &ifrom, int &ito, int &tid, int inum, int nthreads)
{ {
#if defined(_OPENMP) #if defined(_OPENMP)
tid = omp_get_thread_num(); tid = omp_get_thread_num();
@ -204,22 +200,21 @@ static inline void loop_setup_thr(int &ifrom, int &ito, int &tid, int inum, int
// helpful definitions to help compilers optimizing code better // helpful definitions to help compilers optimizing code better
typedef struct { using dbl3_t = struct _dbl3_t {
double x, y, z; double x, y, z;
} dbl3_t; };
typedef struct { using dbl4_t = struct _dbl4_t {
double x, y, z, w; double x, y, z, w;
} dbl4_t; };
typedef struct { using int3_t = struct _int3_t {
int a, b, t; int a, b, t;
} int3_t; };
typedef struct { using int4_t = struct _int4_t {
int a, b, c, t; int a, b, c, t;
} int4_t; };
typedef struct { using int5_t = struct _int5_t {
int a, b, c, d, t; int a, b, c, d, t;
} int5_t; };
} // namespace LAMMPS_NS } // namespace LAMMPS_NS
#endif #endif