modernize. turn static inline into just inline
This commit is contained in:
Axel Kohlmeyer
@ -50,142 +50,138 @@ class ThrOMP {
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double memory_usage_thr();
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double memory_usage_thr();
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inline void sync_threads()
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inline void sync_threads(){
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{
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#if defined(_OPENMP)
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#if defined(_OPENMP)
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#pragma omp barrier
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#pragma omp barrier
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#endif
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#endif
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{
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{;
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;
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}
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}
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}; // namespace LAMMPS_NS
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};
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enum {
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enum {
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THR_NONE = 0,
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THR_NONE = 0,
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THR_PAIR = 1,
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THR_PAIR = 1,
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THR_BOND = 1 << 1,
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THR_BOND = 1 << 1,
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THR_ANGLE = 1 << 2,
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THR_ANGLE = 1 << 2,
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THR_DIHEDRAL = 1 << 3,
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THR_DIHEDRAL = 1 << 3,
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THR_IMPROPER = 1 << 4,
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THR_IMPROPER = 1 << 4,
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THR_KSPACE = 1 << 5,
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THR_KSPACE = 1 << 5,
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THR_CHARMM = 1 << 6, /*THR_PROXY=1<<7,THR_HYBRID=1<<8, */
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THR_CHARMM = 1 << 6, /*THR_PROXY=1<<7,THR_HYBRID=1<<8, */
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THR_FIX = 1 << 9,
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THR_FIX = 1 << 9,
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THR_INTGR = 1 << 10
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THR_INTGR = 1 << 10
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};
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protected:
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// extra ev_tally setup work for threaded styles
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void ev_setup_thr(int, int, int, double *, double **, double **, ThrData *);
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// compute global per thread virial contribution from per-thread force
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void virial_fdotr_compute_thr(double *const, const double *const *const,
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const double *const *const, const int, const int, const int);
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// reduce per thread data as needed
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void reduce_thr(void *const style, const int eflag, const int vflag, ThrData *const thr);
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// thread safe variant error abort support.
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// signals an error condition in any thread by making
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// thr_error > 0, if condition "cond" is true.
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// will abort from thread 0 if thr_error is > 0
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// otherwise return true.
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// returns false if no error found on any thread.
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// use return value to jump/return to end of threaded region.
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bool check_error_thr(const bool cond, const int tid, const char *fname, const int line,
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const char *errmsg)
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{
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if (cond) {
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#if defined(_OPENMP)
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#pragma omp atomic
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++thr_error;
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#endif
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if (tid > 0)
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return true;
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else
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lmp->error->one(fname, line, errmsg);
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} else {
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if (thr_error > 0) {
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if (tid == 0)
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lmp->error->one(fname, line, errmsg);
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else
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return true;
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} else
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return false;
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}
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return false;
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};
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protected:
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// threading adapted versions of the ev_tally infrastructure
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// style specific versions (need access to style class flags)
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// Pair
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void e_tally_thr(Pair *const, const int, const int, const int, const int, const double,
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const double, ThrData *const);
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void v_tally_thr(Pair *const, const int, const int, const int, const int, const double *const,
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ThrData *const);
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void ev_tally_thr(Pair *const, const int, const int, const int, const int, const double,
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const double, const double, const double, const double, const double,
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ThrData *const);
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void ev_tally_full_thr(Pair *const, const int, const double, const double, const double,
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const double, const double, const double, ThrData *const);
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void ev_tally_xyz_thr(Pair *const, const int, const int, const int, const int, const double,
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const double, const double, const double, const double, const double,
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const double, const double, ThrData *const);
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void ev_tally_xyz_full_thr(Pair *const, const int, const double, const double, const double,
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const double, const double, const double, const double, const double,
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ThrData *const);
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void v_tally2_thr(Pair *const, const int, const int, const double, const double *const,
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ThrData *const);
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void v_tally2_newton_thr(Pair *const, const int, const double *const, const double *const,
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ThrData *const);
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void ev_tally3_thr(Pair *const, const int, const int, const int, const double, const double,
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const double *const, const double *const, const double *const,
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const double *const, ThrData *const);
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void v_tally3_thr(Pair *const, const int, const int, const int, const double *const,
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const double *const, const double *const, const double *const, ThrData *const);
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void ev_tally4_thr(Pair *const, const int, const int, const int, const int, const double,
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const double *const, const double *const, const double *const,
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const double *const, const double *const, const double *const, ThrData *const);
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void v_tally4_thr(Pair *const, const int, const int, const int, const int, const double *const,
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const double *const, const double *const, const double *const,
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const double *const, const double *const, ThrData *const);
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// Bond
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void ev_tally_thr(Bond *const, const int, const int, const int, const int, const double,
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const double, const double, const double, const double, ThrData *const);
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// Angle
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void ev_tally_thr(Angle *const, const int, const int, const int, const int, const int,
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const double, const double *const, const double *const, const double,
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const double, const double, const double, const double, const double,
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ThrData *const thr);
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void ev_tally13_thr(Angle *const, const int, const int, const int, const int, const double,
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const double, const double, const double, const double, ThrData *const thr);
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// Dihedral
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void ev_tally_thr(Dihedral *const, const int, const int, const int, const int, const int,
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const int, const double, const double *const, const double *const,
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const double *const, const double, const double, const double, const double,
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const double, const double, const double, const double, const double,
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ThrData *const);
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// Improper
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void ev_tally_thr(Improper *const, const int, const int, const int, const int, const int,
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const int, const double, const double *const, const double *const,
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const double *const, const double, const double, const double, const double,
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const double, const double, const double, const double, const double,
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ThrData *const);
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// style independent versions
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void ev_tally_list_thr(Pair *const, const int, const int *const, const double *const,
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const double, const double, ThrData *const);
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};
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};
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protected:
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// extra ev_tally setup work for threaded styles
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void ev_setup_thr(int, int, int, double *, double **, double **, ThrData *);
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// compute global per thread virial contribution from per-thread force
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void virial_fdotr_compute_thr(double *const, const double *const *const, const double *const *const,
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const int, const int, const int);
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// reduce per thread data as needed
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void reduce_thr(void *const style, const int eflag, const int vflag, ThrData *const thr);
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// thread safe variant error abort support.
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// signals an error condition in any thread by making
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// thr_error > 0, if condition "cond" is true.
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// will abort from thread 0 if thr_error is > 0
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// otherwise return true.
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// returns false if no error found on any thread.
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// use return value to jump/return to end of threaded region.
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bool check_error_thr(const bool cond, const int tid, const char *fname, const int line,
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const char *errmsg)
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{
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if (cond) {
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#if defined(_OPENMP)
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#pragma omp atomic
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++thr_error;
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#endif
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if (tid > 0)
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return true;
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else
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lmp->error->one(fname, line, errmsg);
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} else {
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if (thr_error > 0) {
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if (tid == 0)
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lmp->error->one(fname, line, errmsg);
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else
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return true;
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} else
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return false;
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}
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return false;
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};
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protected:
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// threading adapted versions of the ev_tally infrastructure
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// style specific versions (need access to style class flags)
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// Pair
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void e_tally_thr(Pair *const, const int, const int, const int, const int, const double,
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const double, ThrData *const);
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void v_tally_thr(Pair *const, const int, const int, const int, const int, const double *const,
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ThrData *const);
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void ev_tally_thr(Pair *const, const int, const int, const int, const int, const double,
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const double, const double, const double, const double, const double,
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ThrData *const);
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void ev_tally_full_thr(Pair *const, const int, const double, const double, const double,
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const double, const double, const double, ThrData *const);
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void ev_tally_xyz_thr(Pair *const, const int, const int, const int, const int, const double,
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const double, const double, const double, const double, const double,
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const double, const double, ThrData *const);
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void ev_tally_xyz_full_thr(Pair *const, const int, const double, const double, const double,
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const double, const double, const double, const double, const double,
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ThrData *const);
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void v_tally2_thr(Pair *const, const int, const int, const double, const double *const,
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ThrData *const);
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void v_tally2_newton_thr(Pair *const, const int, const double *const, const double *const,
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ThrData *const);
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void ev_tally3_thr(Pair *const, const int, const int, const int, const double, const double,
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const double *const, const double *const, const double *const,
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const double *const, ThrData *const);
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void v_tally3_thr(Pair *const, const int, const int, const int, const double *const,
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const double *const, const double *const, const double *const, ThrData *const);
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void ev_tally4_thr(Pair *const, const int, const int, const int, const int, const double,
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const double *const, const double *const, const double *const,
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const double *const, const double *const, const double *const, ThrData *const);
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void v_tally4_thr(Pair *const, const int, const int, const int, const int, const double *const,
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const double *const, const double *const, const double *const,
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const double *const, const double *const, ThrData *const);
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// Bond
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void ev_tally_thr(Bond *const, const int, const int, const int, const int, const double,
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const double, const double, const double, const double, ThrData *const);
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// Angle
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void ev_tally_thr(Angle *const, const int, const int, const int, const int, const int, const double,
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const double *const, const double *const, const double, const double,
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const double, const double, const double, const double, ThrData *const thr);
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void ev_tally13_thr(Angle *const, const int, const int, const int, const int, const double,
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const double, const double, const double, const double, ThrData *const thr);
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// Dihedral
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void ev_tally_thr(Dihedral *const, const int, const int, const int, const int, const int, const int,
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const double, const double *const, const double *const, const double *const,
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const double, const double, const double, const double, const double,
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const double, const double, const double, const double, ThrData *const);
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// Improper
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void ev_tally_thr(Improper *const, const int, const int, const int, const int, const int, const int,
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const double, const double *const, const double *const, const double *const,
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const double, const double, const double, const double, const double,
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const double, const double, const double, const double, ThrData *const);
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// style independent versions
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void ev_tally_list_thr(Pair *const, const int, const int *const, const double *const, const double,
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const double, ThrData *const);
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}
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;
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// set loop range thread id, and force array offset for threaded runs.
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// set loop range thread id, and force array offset for threaded runs.
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static inline void loop_setup_thr(int &ifrom, int &ito, int &tid, int inum, int nthreads)
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inline void loop_setup_thr(int &ifrom, int &ito, int &tid, int inum, int nthreads)
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{
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{
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#if defined(_OPENMP)
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#if defined(_OPENMP)
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tid = omp_get_thread_num();
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tid = omp_get_thread_num();
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@ -204,22 +200,21 @@ static inline void loop_setup_thr(int &ifrom, int &ito, int &tid, int inum, int
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// helpful definitions to help compilers optimizing code better
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// helpful definitions to help compilers optimizing code better
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typedef struct {
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using dbl3_t = struct _dbl3_t {
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double x, y, z;
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double x, y, z;
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} dbl3_t;
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};
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typedef struct {
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using dbl4_t = struct _dbl4_t {
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double x, y, z, w;
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double x, y, z, w;
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} dbl4_t;
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};
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typedef struct {
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using int3_t = struct _int3_t {
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int a, b, t;
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int a, b, t;
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} int3_t;
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};
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typedef struct {
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using int4_t = struct _int4_t {
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int a, b, c, t;
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int a, b, c, t;
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} int4_t;
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};
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typedef struct {
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using int5_t = struct _int5_t {
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int a, b, c, d, t;
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int a, b, c, d, t;
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} int5_t;
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};
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} // namespace LAMMPS_NS
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} // namespace LAMMPS_NS
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#endif
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#endif
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Reference in New Issue
Block a user