diff options
| author | Magnus Lundborg <magnus.lundborg@scilifelab.se> | 2013-01-10 11:49:42 (GMT) |
|---|---|---|
| committer | Magnus Lundborg <magnus.lundborg@scilifelab.se> | 2013-01-10 11:49:42 (GMT) |
| commit | 088a18f59edd690db51e80160a8d0b4f931dc18d (patch) | |
| tree | 038093cb464e110e65e962a152345c3959cd3ed5 /src/tests | |
| parent | c81664ad1691d02a4c331b461733cbed8f02de0d (diff) | |
Fixes to make the fortran md simulation example work.
Diffstat (limited to 'src/tests')
| -rw-r--r-- | src/tests/CMakeLists.txt | 18 | ||||
| -rw-r--r-- | src/tests/md_openmp.c | 2 | ||||
| -rw-r--r-- | src/tests/md_openmp.f | 4 |
3 files changed, 10 insertions, 14 deletions
diff --git a/src/tests/CMakeLists.txt b/src/tests/CMakeLists.txt index 5ab5a55..aa0289d 100644 --- a/src/tests/CMakeLists.txt +++ b/src/tests/CMakeLists.txt @@ -19,12 +19,12 @@ target_link_libraries(md_openmp tng_io ${OpenMP_LIBS} m) add_executable(tng_io_read_pos tng_io_read_pos.c) target_link_libraries(tng_io_read_pos tng_io) -# enable_language(Fortran OPTIONAL) -# if(${CMAKE_Fortran_COMPILER_WORKS}) -# get_filename_component (Fortran_COMPILER_NAME ${CMAKE_Fortran_COMPILER} NAME) -# if (Fortran_COMPILER_NAME STREQUAL "gfortran") -# set(CMAKE_Fortran_FLAGS "${CMAKE_Fortran_FLAGS} -fcray-pointer ${OpenMP_C_FLAGS} -std=legacy") -# endif() -# add_executable(md_openmp_f md_openmp.f) -# target_link_libraries(md_openmp_f tng_io ${OpenMP_LIBS}) -# endif() +enable_language(Fortran OPTIONAL) +if(${CMAKE_Fortran_COMPILER_WORKS}) + get_filename_component (Fortran_COMPILER_NAME ${CMAKE_Fortran_COMPILER} NAME) + if (Fortran_COMPILER_NAME STREQUAL "gfortran") + set(CMAKE_Fortran_FLAGS "${CMAKE_Fortran_FLAGS} -fcray-pointer ${OpenMP_C_FLAGS} -std=legacy") + endif() + add_executable(md_openmp_f md_openmp.f) + target_link_libraries(md_openmp_f tng_io ${OpenMP_LIBS}) +endif() diff --git a/src/tests/md_openmp.c b/src/tests/md_openmp.c index 198755b..4bf6601 100644 --- a/src/tests/md_openmp.c +++ b/src/tests/md_openmp.c @@ -86,7 +86,6 @@ int main ( int argc, char *argv[] ) tng_atom_t atom; int64_t n_frames_per_frame_set; int frames_saved_cnt = 0; - int frame_set_cnt = 0; timestamp ( ); @@ -226,7 +225,6 @@ int main ( int argc, char *argv[] ) i, __FILE__, __LINE__); exit(1); } - frame_set_cnt++; /* Add empty data blocks */ if(tng_particle_data_block_add(traj, TNG_TRAJ_POSITIONS, diff --git a/src/tests/md_openmp.f b/src/tests/md_openmp.f index 31a92cc..0220a56 100644 --- a/src/tests/md_openmp.f +++ b/src/tests/md_openmp.f @@ -88,7 +88,6 @@ c The TNG functions expect 8 bit integers c integer*8 n_frames_per_frame_set integer*8 frames_saved_cnt - integer*8 frame_set_cnt integer*8 tng_n_particles c @@ -250,7 +249,6 @@ c call tng_num_frames_per_frame_set_get(traj, & n_frames_per_frame_set) call tng_frame_set_new(traj, int(0, 8), n_frames_per_frame_set) - frame_set_cnt = frame_set_cnt + 1 c c Add empty data blocks @@ -302,7 +300,7 @@ c call tng_frame_particle_data_write(traj, frames_saved_cnt, & TNG_TRAJ_FORCES, int(0, 8), tng_n_particles, force, & TNG_USE_HASH) - frames_saved_cnt = frame_set_cnt + 1 + frames_saved_cnt = frames_saved_cnt + 1 end if call update ( np, nd, pos, vel, force, acc, mass, dt ) |