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#include <stdio.h>
#include <stdlib.h>
#include <string.h>
#include "openmx_common.h"
#include "Inputtools.h"
#ifdef nompi
#include "mimic_mpi.h"
#else
#include "mpi.h"
#endif
void setup_CPU_group(char *file)
{
char *s_vec[20];
int i_vec[20];
int po=0;
int numprocs,myid;
MPI_Comm_size(mpi_comm_level1,&numprocs);
MPI_Comm_rank(mpi_comm_level1,&myid);
if (input_open(file)==0){
MPI_Finalize();
exit(0);
}
else{
input_close();
}
if (myid==Host_ID) {
input_open(file);
/* Solver */
s_vec[0]="Recursion"; s_vec[1]="Cluster"; s_vec[2]="Band";
s_vec[3]="NEGF"; s_vec[4]="DC"; s_vec[5]="GDC";
s_vec[6]="Cluster-DIIS"; s_vec[7]="Krylov";
i_vec[0]=1; i_vec[1]=2; i_vec[2]=3;
i_vec[3]=4; i_vec[4]=5; i_vec[5]=6;
i_vec[6]=7; i_vec[7]=8;
input_string2int("scf.EigenvalueSolver", &Solver, 8, s_vec,i_vec);
/* atomnum */
input_int("Atoms.Number",&atomnum,0);
input_double("scf.energycutoff",&Grid_Ecut,(double)150.0);
input_logical("scf.Mixed.Basis",&Mixed_Basis_flag,0); /* default=off */
if (Mixed_Basis_flag==1){
Setup_Mixed_Basis(file,myid);
atomnum += Ngrid1_FE*Ngrid2_FE*Ngrid3_FE;
}
if (atomnum<=0){
printf("Atoms.Number may be wrong.\n");
po++;
}
if (Solver==4) {
/* if NEGF */
/* left */
input_int("LeftLeadAtoms.Number",&Latomnum,0);
if (Latomnum<=0){
printf("LeftLeadAtoms.Number may be wrong.\n");
po++;
}
/* right */
input_int("RightLeadAtoms.Number",&Ratomnum,0);
if (Ratomnum<=0){
printf("RightLeadAtoms.Number may be wrong.\n");
po++;
}
atomnum += Latomnum+Ratomnum;
}
input_close();
} /* myid==Host_ID */
MPI_Bcast(&atomnum, 1, MPI_INT, Host_ID, mpi_comm_level1);
MPI_Bcast(&po, 1, MPI_INT, Host_ID, mpi_comm_level1);
if (po>0) {
MPI_Finalize();
exit(0);
}
/* separate CPUs */
if ( atomnum < numprocs ) {
int *new_ranks;
int i;
MPI_Group new_group,old_group;
if (myid==Host_ID) {
printf("******************************************\n");
printf("Cut off CPU(s), New group contains %d CPUs\n",atomnum);
printf("******************************************\n");
}
new_ranks = (int*)malloc(sizeof(int)*atomnum);
for (i=0; i<atomnum; i++) {
new_ranks[i]=i; /* a new group is made of original rank=0:atomnum-1 */
}
MPI_Comm_group(MPI_COMM_WORLD, &old_group);
/* define a new group */
MPI_Group_incl(old_group,atomnum,new_ranks,&new_group);
MPI_Comm_create(MPI_COMM_WORLD,new_group,&mpi_comm_level1);
MPI_Group_free(&new_group);
free(new_ranks); /* never forget cleaning! */
}
/* default mpi_comm_level1 is already set in main() */
}
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