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gmx_test_3dfft.c
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gmx_test_3dfft.c
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#include "gmx_parallel_3dfft.h"
#include "smalloc.h"
void split_communicator(MPI_Comm comm, MPI_Comm cart[], int P[]) {
int wrap[]={0,0};
int coor[2];
MPI_Comm gcart;
MPI_Cart_create(comm,2,P,wrap,1,&gcart); //parameter 4: value 1: reorder
MPI_Cart_get(gcart,2,P,wrap,coor);
int rdim1[] = {0,1}, rdim2[] = {1,0};
MPI_Cart_sub(gcart, rdim1 , &cart[0]);
MPI_Cart_sub(gcart, rdim2 , &cart[1]);
}
//check eriks mail for one thing left to do
int main(int argc,char** argv) {
int prank,i,j,k;
MPI_Init(&argc,&argv);
MPI_Comm_rank(MPI_COMM_WORLD,&prank);
debug=stderr;
if (argc!=6) {
if (prank==0) printf("Usage: gmx_test_3dfft N M K P1 P2\n");
return 1;
}
gmx_parallel_3dfft_t pfft_setup;
ivec ndata = {atoi(argv[1]),atoi(argv[2]),atoi(argv[3])};
real * real_data;
t_complex * complex_data;
MPI_Comm comm[2];
ivec local_ndata;
ivec local_offset;
ivec local_size;
int P[]={atoi(argv[4]),atoi(argv[5])};
real* compare;
split_communicator(MPI_COMM_WORLD,comm,P);
gmx_parallel_3dfft_init (&pfft_setup, ndata, &real_data, &complex_data, comm, 0, 0); //last two: slab2index, bReprodusible
gmx_parallel_3dfft_real_limits(pfft_setup,local_ndata,local_offset,local_size);
snew(compare,ndata[0]*ndata[1]*ndata[2]);
srand(time(0)+prank);
if (debug) {
fprintf(debug,"local_ndata: %d %d %d\n",local_ndata[0],local_ndata[1],local_ndata[2]);
fprintf(debug,"local_size: %d %d %d\n",local_size[0],local_size[1],local_size[2]);
fprintf(debug,"local_offset: %d %d %d\n",local_offset[0],local_offset[1],local_offset[2]);
}
for (i=0;i<local_ndata[0];i++) {
for (j=0;j<local_ndata[1];j++) {
for (k=0;k<local_ndata[2];k++) {
compare[i*local_ndata[1]*local_ndata[2]+j*local_ndata[2]+k]=real_data[i*local_size[1]*local_size[2]+j*local_size[2]+k]=((real)rand())/RAND_MAX;
}
}
}
gmx_parallel_3dfft_execute(pfft_setup,GMX_FFT_REAL_TO_COMPLEX,0,0);
gmx_parallel_3dfft_execute(pfft_setup,GMX_FFT_COMPLEX_TO_REAL,0,0);
for (i=0;i<local_ndata[0];i++) {
for (j=0;j<local_ndata[1];j++) {
for (k=0;k<local_ndata[2];k++) {
if (fabs(compare[i*local_ndata[1]*local_ndata[2]+j*local_ndata[2]+k] -
real_data[i*local_size[1]*local_size[2]+j*local_size[2]+k]/(ndata[0]*ndata[1]*ndata[2]))>2*ndata[0]*ndata[1]*ndata[2]*GMX_REAL_EPS) {
printf("error: %d %d %d: %f %f\n",i,j,k,compare[i*local_ndata[1]*local_ndata[2]+j*local_ndata[2]+k],
real_data[i*local_size[1]*local_size[2]+j*local_size[2]+k]/(ndata[0]*ndata[1]*ndata[2]));
}
}
}
}
gmx_parallel_3dfft_destroy(pfft_setup);
MPI_Finalize();
return 0;
}