//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;
}
/*! \brief
* A convenience wrapper for launching either the GPU or CPU FFT.
*
* \param[in] pme The PME structure.
* \param[in] gridIndex The grid index - should currently always be 0.
* \param[in] dir The FFT direction enum.
* \param[in] wcycle The wallclock counter.
*/
void inline parallel_3dfft_execute_gpu_wrapper(gmx_pme_t *pme,
const int gridIndex,
enum gmx_fft_direction dir,
gmx_wallcycle_t wcycle)
{
GMX_ASSERT(gridIndex == 0, "Only single grid supported");
if (pme_gpu_performs_FFT(pme->gpu))
{
wallcycle_start_nocount(wcycle, ewcLAUNCH_GPU);
wallcycle_sub_start_nocount(wcycle, ewcsLAUNCH_GPU_PME);
pme_gpu_3dfft(pme->gpu, dir, gridIndex);
wallcycle_sub_stop(wcycle, ewcsLAUNCH_GPU_PME);
wallcycle_stop(wcycle, ewcLAUNCH_GPU);
}
else
{
wallcycle_start(wcycle, ewcPME_FFT_MIXED_MODE);
#pragma omp parallel for num_threads(pme->nthread) schedule(static)
for (int thread = 0; thread < pme->nthread; thread++)
{
gmx_parallel_3dfft_execute(pme->pfft_setup[gridIndex], dir, thread, wcycle);
}
wallcycle_stop(wcycle, ewcPME_FFT_MIXED_MODE);
}
}
