diff options
Diffstat (limited to 'src/tests/tng_parallel_read.c')
| -rw-r--r-- | src/tests/tng_parallel_read.c | 56 |
1 files changed, 33 insertions, 23 deletions
diff --git a/src/tests/tng_parallel_read.c b/src/tests/tng_parallel_read.c index d0aaa15..824fc73 100644 --- a/src/tests/tng_parallel_read.c +++ b/src/tests/tng_parallel_read.c @@ -21,7 +21,7 @@ /* N.B. this code is for testing parallel reading of trajectory frame sets. The * performance is not improved very much and is to a large extent limited by * disk i/o. It can however be used as inspiration for writing parallel code - * using the TNG library. */ + * using the TNG library. The code is NOT fully tested and may behave strangely. */ int main(int argc, char **argv) { @@ -29,9 +29,9 @@ int main(int argc, char **argv) union data_values ***local_positions = 0; // A 3-dimensional array to be populated union data_values **particle_pos = 0; int64_t n_particles, n_values_per_frame, n_frame_sets, n_frames; - int64_t n_frames_per_frame_set; + int64_t n_frames_per_frame_set, tot_n_frames = 0; char data_type; - int i, j; + int i, j, fail; int64_t particle = 0, local_first_frame, local_last_frame; char atom_name[64], res_name[64]; tng_trajectory_frame_set_t frame_set = 0; @@ -66,7 +66,7 @@ int main(int argc, char **argv) tng_num_frame_sets_get(traj, &n_frame_sets); tng_num_frames_per_frame_set_get(traj, &n_frames_per_frame_set); - particle_pos = malloc(sizeof(union data_values **) * n_frame_sets * + particle_pos = malloc(sizeof(union data_values *) * n_frame_sets * n_frames_per_frame_set); for(i = n_frame_sets * n_frames_per_frame_set; i--;) { @@ -89,12 +89,14 @@ int main(int argc, char **argv) { printf("Particle name not found\n"); } + + fail = 0; #pragma omp parallel \ private (n_frames, n_particles, n_values_per_frame, \ - local_first_frame, local_last_frame, j) \ + local_first_frame, local_last_frame, j, fail) \ firstprivate (local_traj, local_positions, frame_set)\ -shared(data_type, traj, n_frame_sets, particle_pos, particle, i)\ +shared(data_type, traj, n_frame_sets, particle_pos, particle, i, tot_n_frames)\ default(none) { /* Each tng_trajectory_t keeps its own file pointers and i/o positions. @@ -106,22 +108,30 @@ default(none) if(tng_frame_set_nr_find(local_traj, i) != TNG_SUCCESS) { printf("FAILED finding frame set %d!\n", i); + tot_n_frames = 0; + fail = 1; } if(tng_particle_data_get(local_traj, TNG_TRAJ_POSITIONS, &local_positions, &n_frames, &n_particles, &n_values_per_frame, &data_type) != TNG_SUCCESS) { printf("FAILED getting particle data\n"); + tot_n_frames = 0; + fail = 1; } - tng_current_frame_set_get(local_traj, &frame_set); - tng_frame_set_frame_range_get(local_traj, frame_set, &local_first_frame, &local_last_frame); -// printf("Frame %"PRId64"-%"PRId64":\n", local_first_frame, local_last_frame); -// printf("%"PRId64" %"PRId64" %"PRId64"\n", n_frames, n_particles, n_values_per_frame); - for(j = 0; j < n_frames; j++) + if(!fail) { - particle_pos[local_first_frame + j][0] = local_positions[j][particle][0]; - particle_pos[local_first_frame + j][1] = local_positions[j][particle][1]; - particle_pos[local_first_frame + j][2] = local_positions[j][particle][2]; + tng_current_frame_set_get(local_traj, &frame_set); + tng_frame_set_frame_range_get(local_traj, frame_set, &local_first_frame, &local_last_frame); + // printf("Frame %"PRId64"-%"PRId64":\n", local_first_frame, local_last_frame); + // printf("%"PRId64" %"PRId64" %"PRId64"\n", n_frames, n_particles, n_values_per_frame); + tot_n_frames += n_frames; + for(j = 0; j < n_frames; j++) + { + particle_pos[local_first_frame + j][0] = local_positions[j][particle][0]; + particle_pos[local_first_frame + j][1] = local_positions[j][particle][1]; + particle_pos[local_first_frame + j][2] = local_positions[j][particle][2]; + } } } @@ -136,24 +146,24 @@ default(none) switch(data_type) { case TNG_INT_DATA: - for(i = 0; i < n_frame_sets * n_frames_per_frame_set; i++) + for(j = 0; j < tot_n_frames; j++) { - printf("\t%"PRId64"\t%"PRId64"\t%"PRId64"\n", particle_pos[i][0].i, - particle_pos[i][1].i, particle_pos[i][2].i); + printf("\t%"PRId64"\t%"PRId64"\t%"PRId64"\n", particle_pos[j][0].i, + particle_pos[j][1].i, particle_pos[j][2].i); } break; case TNG_FLOAT_DATA: - for(i = 0; i < n_frame_sets * n_frames_per_frame_set; i++) + for(j = 0; j < tot_n_frames; j++) { - printf("\t%f\t%f\t%f\n", particle_pos[i][0].f, - particle_pos[i][1].f, particle_pos[i][2].f); + printf("\t%f\t%f\t%f\n", particle_pos[j][0].f, + particle_pos[j][1].f, particle_pos[j][2].f); } break; case TNG_DOUBLE_DATA: - for(i = 0; i < n_frame_sets * n_frames_per_frame_set; i++) + for(j = 0; j < tot_n_frames; j++) { - printf("\t%f\t%f\t%f\n", particle_pos[i][0].d, - particle_pos[i][1].d, particle_pos[i][2].d); + printf("\t%f\t%f\t%f\n", particle_pos[j][0].d, + particle_pos[j][1].d, particle_pos[j][2].d); } break; default: |