diff options
| author | Magnus Lundborg <magnus.lundborg@scilifelab.se> | 2013-01-22 12:40:24 (GMT) |
|---|---|---|
| committer | Magnus Lundborg <magnus.lundborg@scilifelab.se> | 2013-01-22 12:40:24 (GMT) |
| commit | f19492ca4fd4e3eeebf6614aef8cc71e74c875fc (patch) | |
| tree | 32ef413a4b6786e1473fadcb8712806b7a863479 /src/tests/md_openmp.c | |
| parent | 00c704fa414fd74026d771150e57a3d30c939b10 (diff) | |
Minor fixes in mdrun C example. Make mdrun fortran example save data sparsely as well.
Diffstat (limited to 'src/tests/md_openmp.c')
| -rw-r--r-- | src/tests/md_openmp.c | 7 |
1 files changed, 5 insertions, 2 deletions
diff --git a/src/tests/md_openmp.c b/src/tests/md_openmp.c index 596d80d..b432462 100644 --- a/src/tests/md_openmp.c +++ b/src/tests/md_openmp.c @@ -80,7 +80,7 @@ int main ( int argc, char *argv[] ) int step_print_index; int step_print_num; int step_save; - int sparse_save; + int64_t sparse_save; double *vel; double wtime; tng_trajectory_t traj; @@ -269,7 +269,10 @@ int main ( int argc, char *argv[] ) printf("Error adding data. %s: %d\n", __FILE__, __LINE__); exit(1); } - /* There is no standard ID for potential energy. Pick one. */ + + /* There is no standard ID for potential energy. Pick one. The + potential energy will not be saved every frame - it is sparsely + saved. */ if(tng_data_block_add(traj, 10101, "POTENTIAL ENERGY", TNG_DOUBLE_DATA, |