diff options
Diffstat (limited to 'src/tests')
| -rw-r--r-- | src/tests/tng_io_testing.c | 38 | ||||
| -rw-r--r-- | src/tests/tng_parallel_read.c | 31 |
2 files changed, 37 insertions, 32 deletions
diff --git a/src/tests/tng_io_testing.c b/src/tests/tng_io_testing.c index 96b53f7..0f67ccc 100644 --- a/src/tests/tng_io_testing.c +++ b/src/tests/tng_io_testing.c @@ -136,7 +136,7 @@ static tng_function_status tng_test_read_and_write_file } stat = tng_frame_set_write(traj, TNG_USE_HASH); } - + return(stat); } @@ -148,11 +148,11 @@ static tng_function_status tng_test_write_and_read_traj(tng_trajectory_t traj) int64_t frame_nr; double box_shape[9]; char atom_type[16], annotation[128]; - tng_function_status stat; + tng_function_status stat = TNG_SUCCESS; tng_medium_stride_length_set(traj, 10); tng_long_stride_length_set(traj, 100); - + /* Create molecules */ if(tng_test_setup_molecules(traj) == TNG_CRITICAL) { @@ -200,7 +200,7 @@ static tng_function_status tng_test_write_and_read_traj(tng_trajectory_t traj) printf("Failed setting partial charges.\n"); return(TNG_CRITICAL); } - + stat = tng_particle_data_block_add(traj, TNG_TRAJ_PARTIAL_CHARGES, "PARTIAL CHARGES", TNG_FLOAT_DATA, TNG_NON_TRAJECTORY_BLOCK, 1, 1, 1, 0, n_particles, @@ -230,9 +230,9 @@ static tng_function_status tng_test_write_and_read_traj(tng_trajectory_t traj) printf("Cannot write file headers.\n"); } - + tng_num_frames_per_frame_set_get(traj, &n_frames_per_frame_set); - + data = malloc(sizeof(float) * n_particles * n_frames_per_frame_set * 3); if(!data) @@ -366,9 +366,9 @@ static tng_function_status tng_test_write_and_read_traj(tng_trajectory_t traj) return(TNG_CRITICAL); } } - + /* Write two more frame sets one frame at a time */ - cnt = 0; + /* Make a new frame set - if always using the same mapping blocks * it is not necessary to explicitly add a new frame set - it will * be added automatically when adding data for a frame */ @@ -383,7 +383,7 @@ static tng_function_status tng_test_write_and_read_traj(tng_trajectory_t traj) } frame_nr = i * n_frames_per_frame_set; - + for(k=0; k<300; k++) { mapping[k]=k; @@ -470,7 +470,7 @@ static tng_function_status tng_test_write_and_read_traj(tng_trajectory_t traj) } } } - + free(molpos); free(data); @@ -481,7 +481,7 @@ static tng_function_status tng_test_write_and_read_traj(tng_trajectory_t traj) #endif stat = tng_file_headers_read(traj, TNG_SKIP_HASH); - + while(stat == TNG_SUCCESS) { stat = tng_frame_set_read_next(traj, TNG_SKIP_HASH); @@ -582,7 +582,7 @@ int main() tng_trajectory_t traj; tng_function_status stat; char time_str[TNG_MAX_DATE_STR_LEN]; - + if(tng_trajectory_init(&traj) != TNG_SUCCESS) { tng_trajectory_destroy(&traj); @@ -614,7 +614,7 @@ int main() { printf("Test Read and write file:\t\t\tSucceeded.\n"); } - + if(tng_test_get_box_data(traj) != TNG_SUCCESS) { printf("Test Get data:\t\t\t\t\tFailed. %s: %d\n", @@ -635,7 +635,7 @@ int main() { printf("Test Destroy and init trajectory:\t\tSucceeded.\n"); } - + #ifdef EXAMPLE_FILES_DIR tng_output_file_set(traj, EXAMPLE_FILES_DIR "tng_test.tng"); @@ -652,7 +652,7 @@ int main() { printf("Test Write and read file:\t\t\tSucceeded.\n"); } - + if(tng_test_get_positions_data(traj) != TNG_SUCCESS) { printf("Test Get particle data:\t\t\t\tFailed. %s: %d\n", @@ -674,7 +674,7 @@ int main() printf("Test Destroy trajectory:\t\t\tSucceeded.\n"); } - + #ifdef EXAMPLE_FILES_DIR stat = tng_util_trajectory_open(EXAMPLE_FILES_DIR "tng_test.tng", 'r', &traj); #else @@ -691,7 +691,7 @@ int main() printf("Test Utility function open:\t\t\tSucceeded.\n"); } - stat = tng_util_trajectory_close(&traj); + stat = tng_util_trajectory_close(&traj); if(stat != TNG_SUCCESS) { printf("Test Utility function close:\t\t\tFailed. %s: %d.\n", @@ -702,8 +702,8 @@ int main() { printf("Test Utility function close:\t\t\tSucceeded.\n"); } - + printf("Tests finished\n"); - + exit(0); }
\ No newline at end of file diff --git a/src/tests/tng_parallel_read.c b/src/tests/tng_parallel_read.c index d0aaa15..58863b0 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) { @@ -29,7 +29,7 @@ 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; int64_t particle = 0, local_first_frame, local_last_frame; @@ -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--;) { @@ -94,7 +94,7 @@ int main(int argc, char **argv) private (n_frames, n_particles, n_values_per_frame, \ local_first_frame, local_last_frame, j) \ 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. @@ -106,17 +106,22 @@ 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; + break; } 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; + break; } 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]; @@ -136,24 +141,24 @@ 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: |