Test parallel i/o (not very quick atm).

1 files changed, 92 insertions, 0 deletions

diff --git a/src/tests/tng_parallel_read.c b/src/tests/tng_parallel_read.c
new file mode 100644
index 0000000..2aaa5f7
--- /dev/null
+++ b/src/tests/tng_parallel_read.c
@@ -0,0 +1,92 @@
+#include <stdlib.h>
+#include <stdio.h>
+#include <tng_io.h>
+#include <omp.h>
+
+int main(int argc, char **argv)
+{
+    tng_trajectory_t traj, local_traj = 0;
+    union data_values ***positions = 0; // A 3-dimensional array to be populated
+    int64_t n_particles, n_values_per_frame, n_frame_sets, n_frames;
+    tng_data_type data_type;
+    int i;
+    int64_t particle = 0;
+    char atom_name[64], res_name[64];
+
+    if(argc <= 1)
+    {
+        printf("No file specified\n");
+        printf("Usage:\n");
+        printf("tng_io_read_pos <tng_file> [particle number = %"PRId64"]\n",
+               particle);
+        exit(1);
+    }
+
+    // A reference must be passed to allocate memory
+    if(tng_trajectory_init(&traj) != TNG_SUCCESS)
+    {
+        tng_trajectory_destroy(&traj);
+        exit(1);
+    }
+    tng_input_file_set(traj, argv[1]);
+
+    // Read the file headers
+    tng_file_headers_read(traj, TNG_USE_HASH);
+
+    if(argc >= 3)
+    {
+        particle = strtoll(argv[2], 0, 10);
+    }
+
+    tng_num_frame_sets_get(traj, &n_frame_sets);
+
+    printf("%"PRId64" frame sets\n", n_frame_sets);
+
+    if(tng_atom_name_of_particle_nr_get(traj, particle, atom_name,
+                                        sizeof(atom_name)) ==
+       TNG_SUCCESS &&
+       tng_residue_name_of_particle_nr_get(traj, particle, res_name,
+                                           sizeof(res_name)) ==
+       TNG_SUCCESS)
+    {
+        printf("Particle: %s (%s)\n", atom_name, res_name);
+    }
+    else
+    {
+        printf("Particle name not found\n");
+    }
+
+#pragma omp parallel \
+private (n_frames, n_particles, n_values_per_frame, \
+         data_type, positions) \
+firstprivate (local_traj)
+{
+    positions = 0;
+    tng_trajectory_copy(traj, &local_traj);
+#pragma omp for
+    for(i = 0; i < n_frame_sets; i++)
+    {
+        if(tng_frame_set_nr_find(local_traj, i) != TNG_SUCCESS)
+        {
+            printf("FAILED finding frame set %d!\n", i);
+        }
+        if(tng_particle_data_get(local_traj, TNG_TRAJ_POSITIONS, &positions,
+                                 &n_frames, &n_particles, &n_values_per_frame,
+                                 &data_type) != TNG_SUCCESS)
+        {
+            printf("FAILED getting particle data\n");
+        }
+//         printf("%"PRId64" %"PRId64" %"PRId64"\n", n_frames, n_particles, n_values_per_frame);
+    }
+    // Free memory
+    if(positions)
+    {
+        tng_particle_data_values_free(local_traj, positions, n_frames, n_particles,
+                                      n_values_per_frame, data_type);
+    }
+    tng_trajectory_destroy(&local_traj);
+}
+    tng_trajectory_destroy(&traj);
+
+    return(0);
+}