/*********/
/* mcp.h */
/*********/
#ifndef _MCP_H
#define _MCP_H
#include "mcp_constants.h"

/* number of particles */
int np; 
/* supercell geometry */
double H[3][3], HI[3][3], volume;
/* reduced particle coordinates between [0,1) */
double *s;
/* particle masses in reduced unit */
double *mass; 
/* control variables */
char potential_function[MAX_STRING_LENGTH]; 
int LJ6_12, WOON, random_k_sampling;
char config_name[MAX_STRING_LENGTH];
int print_floprate, steps_to_inform;
double work_in_Gflop;
/* random number generator seed */
long iseed; 
/* real-space dynamical matrices in compressed storage */
double *dm;
int num_dm, *dm_index;
/* sample k-points */
int num_kpts;
double sumweight, *kpts;
/* LDOS atom */
int iatom;
/* LDOS direction */
double Q[3][3], QT[3][3];
/* force constant matrix */
double force_constant[3][3]; 
/* multichannel method */
int ktwist, mincycle, min_channel, max_channel, mint;
double tiny, min_v, max_v, shift_v;
int *row, *num, *idx;
double *value;
double *v1, *v2, *v4, *v6, *v8, *v10, *phi, 
    *dsin, *dcos, *ar, *ai, *fup, *fvp, *ldos;
double delta, del2, del3, del4, del5,
    del6, del7, del8, del9, del10, del11;
double ui,u1i,u2i,u3i,u4i,u5i,u6i,u7i,u8i,u9i,u10i,u11i;
double vi,v1i,v2i,v3i,v4i,v5i,v6i,v7i,v8i,v9i,v10i,v11i;
double u2_ibb,u4_ibb,u6_ibb,u8_ibb,u10_ibb;
double v2_ibb,v4_ibb,v6_ibb,v8_ibb,v10_ibb;
double uni,un1i,un2i,un3i,un4i,un5i,un6i,un7i,un8i,un9i,un10i,un11i;
double vni,vn1i,vn2i,vn3i,vn4i,vn5i,vn6i,vn7i,vn8i,vn9i,vn10i,vn11i;
double uoi,uo2i,uo4i,uo6i,uo8i,uo10i;
double voi,vo2i,vo4i,vo6i,vo8i,vo10i;
/* input/output files */
char fn_config_read[MAX_STRING_LENGTH];
char fn_kpt[MAX_STRING_LENGTH];
char fn_ldos[MAX_STRING_LENGTH];
FILE *filehandle;

/* allocated shared memory segments */
int num_shm_seg;
struct shm_list
{
    key_t KEY; /* shared memory key */
    int   ID;  /* shared memory ID  */
    void *addr; /* attached logical address */
    int size;   /* size in bytes */
} shm[MAX_SHM_SEG];

/* base logical address pointer for shm operations */ 
double *shm_base;
double *u, *u2, *u4, *u6, *u8, *u10;
double *uold, *copy[MAX_PROCESSORS];
int size_of_vector_in_bytes, size_of_vector_in_double;

int num_processors, master_pid, my_pid, my_idx;
double master_load; 
const double default_master_load[MAX_PROCESSORS]
= {1., 0.98, 0.98, 0.98, 0.98, 0.98, 0.98, 0.98}; 

/* Must be volatile because there is no explicit data change on the
   thread and the optimization may choose to read in them only once */
volatile int *domain;
/* index domain of sparse matrix multiplication */
volatile char *commands;
/* commands to slaves given by the master process */

/* semaphore set for multiprocess scheduling */
key_t sem_KEY; /* semaphore set key */
int   sem_ID;  /* semaphore set ID  */
struct sembuf semop_add, semop_minus, semop_zero;
/* semaphore operations */
union my_semun{
    int val;
    struct semid_ds *buf;
    ushort *array;} sem_set;
/* semaphore initial values */

/* High resolution timers */
/* for Xolas: */
/* hrtime_t real_t_start, real_t_end; */ 
/* for SGI and Linux: */
/* struct rusage rus;  */
/* struct rusage rue;  */

time_t real_t_start, real_t_end; 

/*************************/
/* function declarations */
/*************************/
void force_constants
(double rx, double ry, double rz, double force_constant[3][3]);
double matinv(double A[3][3], double B[3][3]);
void matmul (double A[3][3], double B[3][3], double D[3][3]);
void cmplx_mul
(double ar, double ai, double br, double bi, double *dr, double *di);
double frandom();
void free_shm();
void *apply_for_shm (int size);
int init_shm_arrays(int n6);
int init_semaphore (int num_processors);
void free_semaphore();
void slave_work_till_die();
void parallel_multiply_all
(int ibb, double u2_ibb, double u4_ibb, double u6_ibb,
 double u8_ibb, double u10_ibb, double v2_ibb, double v4_ibb,
 double v6_ibb, double v8_ibb, double v10_ibb);
void master_set_command (char what);
void do_my_job();
void master_sleep();
void slave_sleep();
void slave_touch_base();
void my_error_handler(int signal_number);
void set_my_own_error_handler();
void reset_error_handler();
void startwatch();
void checkwatch(double *time_passed_in_seconds);

#endif /* _MCP_H */