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38 /* This file is completely threadsafe - keep it that way! */
58 void destroy_bin(t_bin *b)
67 void reset_bin(t_bin *b)
72 int add_binr(t_bin *b,int nr,real r[])
78 if (b->nreal+nr > b->maxreal) {
79 b->maxreal=b->nreal+nr;
80 rest=b->maxreal % MULT;
82 b->maxreal+=MULT-rest;
83 srenew(b->rbuf,b->maxreal);
86 rbuf=b->rbuf+b->nreal;
96 int add_bind(t_bin *b,int nr,double r[])
102 if (b->nreal+nr > b->maxreal) {
103 b->maxreal=b->nreal+nr;
104 rest=b->maxreal % MULT;
106 b->maxreal+=MULT-rest;
107 srenew(b->rbuf,b->maxreal);
110 rbuf=b->rbuf+b->nreal;
111 for(i=0; (i<nr); i++)
120 void sum_bin(t_bin *b,t_commrec *cr)
124 for(i=b->nreal; (i<b->maxreal); i++)
126 gmx_sumd(b->maxreal,b->rbuf,cr);
129 void extract_binr(t_bin *b,int index,int nr,real r[])
134 rbuf = b->rbuf+index;
135 for(i=0; (i<nr); i++)
139 void extract_bind(t_bin *b,int index,int nr,double r[])
144 rbuf = b->rbuf+index;
145 for(i=0; (i<nr); i++)
150 int main(int argc,char *argv[])
158 cr=init_par(&argc,argv);
159 n=strtol(argv[1],NULL,10);
160 m=strtol(argv[2],NULL,10);
161 fprintf(stdlog,"n=%d\n",n);
166 for(k=0; (k < 3); k++) {
167 fprintf(stdlog,"\nk=%d\n",k);
172 for(i=0; (i<m); i++) {
178 ni=add_bind(stdlog,rb,n,r);
179 mi=add_binr(stdlog,rb,DIM*m,v[0]);
183 extract_bind(rb,ni,n,r);
184 extract_binr(rb,mi,DIM*m,v[0]);
187 fprintf(stdlog,"r[%d] = %e\n",i,r[i]);
189 fprintf(stdlog,"v[%d] = (%e,%e,%e)\n",i,v[i][XX],v[i][YY],v[i][ZZ]);