Improved MPI/OpenMP support (#336)

.gitignore

@@ -4,9 +4,9 @@ __pycache__/
 *$py.class
 
 # Build directory for documentation
-docs/build
-docs/source/api
-docs/source/apidoc
+Documentation/build
+Documentation/source/api
+Documentation/source/apidoc
 
 # C extensions
 *.so

Documentation/source/site-specific-config.rst

@@ -148,6 +148,18 @@ rsync, ar, ...).
     tool_box = ToolBox()
     default_c_compiler = tool_box.get_tool(Category.C_COMPILER)
 
+There is special handling for compilers and linkers: the build
+configuration stores the information if an MPI and/or OpenMP build
+is requested. So when a default tool is requested by the ToolBox
+from the ToolRepository (i.e. when the user has not added specific
+compilers or linkers), this information is taken into account, and
+only a compiler that will fulfil the requirements is returned. For
+example, if you have `gfortran` and `mpif90-gfortran` defined in this
+order in the ToolRepository, and request the default compiler for an
+MPI build, the `mpif90-gfortran` instance is returned, not `gfortran`.
+On the other hand, if no MPI is requested, an MPI-enabled compiler
+might be returned, which does not affect the final result, since
+an MPI compiler just adds include- and library-paths.
 
 TODO
 ====

run_configs/gcom/build_gcom_ar.py

@@ -15,7 +15,7 @@
 if __name__ == '__main__':
 
     with BuildConfig(project_label='gcom object archive $compiler',
-                     tool_box=ToolBox()) as state:
+                     mpi=True, openmp=False, tool_box=ToolBox()) as state:
         common_build_steps(state)
         archive_objects(state, output_fpath='$output/libgcom.a')
         cleanup_prebuilds(state, all_unused=True)

run_configs/gcom/build_gcom_so.py

@@ -20,7 +20,7 @@
     parsed_args = arg_parser.parse_args()
 
     with BuildConfig(project_label='gcom shared library $compiler',
-                     tool_box=ToolBox()) as state:
+                     mpi=True, openmp=False, tool_box=ToolBox()) as state:
         common_build_steps(state, fpic=True)
-        link_shared_object(state, output_fpath='$output/libgcom.so'),
+        link_shared_object(state, output_fpath='$output/libgcom.so')
         cleanup_prebuilds(state, all_unused=True)

run_configs/jules/build_jules.py

@@ -42,12 +42,15 @@ def __init__(self):
     tool_box.add_tool(Linker(compiler=fc))
 
     with BuildConfig(project_label=f'jules {revision} $compiler',
-                     tool_box=tool_box) as state:
-        # grab the source. todo: use some checkouts instead of exports in these configs.
-        fcm_export(state, src='fcm:jules.xm_tr/src', revision=revision, dst_label='src')
-        fcm_export(state, src='fcm:jules.xm_tr/utils', revision=revision, dst_label='utils')
+                     mpi=False, openmp=False, tool_box=tool_box) as state:
+        # grab the source. todo: use some checkouts instead of exports
+        # in these configs.
+        fcm_export(state, src='fcm:jules.xm_tr/src', revision=revision,
+                   dst_label='src')
+        fcm_export(state, src='fcm:jules.xm_tr/utils', revision=revision,
+                   dst_label='utils')
 
-        grab_pre_build(state, path='/not/a/real/folder', allow_fail=True),
+        grab_pre_build(state, path='/not/a/real/folder', allow_fail=True)
 
         # find the source files
         find_source_files(state, path_filters=[
@@ -61,9 +64,11 @@ def __init__(self):
         # move inc files to the root for easy tool use
         root_inc_files(state)
 
-        preprocess_fortran(state, common_flags=['-P', '-DMPI_DUMMY', '-DNCDF_DUMMY', '-I$output'])
+        preprocess_fortran(state, common_flags=['-P', '-DMPI_DUMMY',
+                                                '-DNCDF_DUMMY', '-I$output'])
 
-        analyse(state, root_symbol='jules', unreferenced_deps=['imogen_update_carb'])
+        analyse(state, root_symbol='jules',
+                unreferenced_deps=['imogen_update_carb'])
 
         compile_fortran(state)
 

run_configs/lfric/atm.py

@@ -172,7 +172,7 @@ def file_filtering(config):
     gpl_utils_source = gpl_utils_source_config.source_root / 'gpl_utils'
 
     with BuildConfig(project_label='atm $compiler $two_stage',
-                     tool_box=ToolBox()) as state:
+                     mpi=False, openmp=False, tool_box=ToolBox()) as state:
 
         # todo: use different dst_labels because they all go into the same folder,
         #       making it hard to see what came from where?

run_configs/lfric/grab_lfric.py

@@ -16,10 +16,12 @@
 # these configs are interrogated by the build scripts
 # todo: doesn't need two separate configs, they use the same project workspace
 tool_box = ToolBox()
-lfric_source_config = BuildConfig(project_label=f'lfric source {LFRIC_REVISION}',
-                                  tool_box=tool_box)
-gpl_utils_source_config = BuildConfig(project_label=f'lfric source {LFRIC_REVISION}',
-                                      tool_box=tool_box)
+lfric_source_config = BuildConfig(
+    project_label=f'lfric source {LFRIC_REVISION}',
+    tool_box=tool_box)
+gpl_utils_source_config = BuildConfig(
+    project_label=f'lfric source {LFRIC_REVISION}',
+    tool_box=tool_box)
 
 
 if __name__ == '__main__':

run_configs/lfric/gungho.py

@@ -33,7 +33,7 @@
     gpl_utils_source = gpl_utils_source_config.source_root / 'gpl_utils'
 
     with BuildConfig(project_label='gungho $compiler $two_stage',
-                     tool_box=ToolBox()) as state:
+                     mpi=True, openmp=True, tool_box=ToolBox()) as state:
         grab_folder(state, src=lfric_source / 'infrastructure/source/', dst_label='')
         grab_folder(state, src=lfric_source / 'components/driver/source/', dst_label='')
         grab_folder(state, src=lfric_source / 'components' / 'inventory' / 'source', dst_label='')
@@ -87,7 +87,7 @@
             state,
             common_flags=[
                 '-c',
-                '-ffree-line-length-none', '-fopenmp',
+                '-ffree-line-length-none',
                 '-g',
                 '-std=f2008',
 
@@ -104,8 +104,6 @@
         link_exe(
             state,
             flags=[
-                '-fopenmp',
-
                 '-lyaxt', '-lyaxt_c', '-lnetcdff', '-lnetcdf', '-lhdf5',  # EXTERNAL_DYNAMIC_LIBRARIES
                 '-lxios',  # EXTERNAL_STATIC_LIBRARIES
                 '-lstdc++',

run_configs/lfric/mesh_tools.py

@@ -25,7 +25,7 @@
     psyclone_overrides = Path(__file__).parent / 'mesh_tools_overrides'
 
     with BuildConfig(project_label='mesh tools $compiler $two_stage',
-                     tool_box=ToolBox()) as state:
+                     mpi=True, openmp=False, tool_box=ToolBox()) as state:
         grab_folder(state, src=lfric_source / 'infrastructure/source/', dst_label='')
         grab_folder(state, src=lfric_source / 'mesh_tools/source/', dst_label='')
         grab_folder(state, src=lfric_source / 'components/science/source/', dst_label='')

run_configs/tiny_fortran/build_tiny_fortran.py

@@ -33,13 +33,13 @@ def __init__(self):
     with BuildConfig(project_label='tiny_fortran $compiler',
                      tool_box=tool_box) as state:
         git_checkout(state, src='https://github.com/metomi/fab-test-data.git',
-                     revision='main', dst_label='src'),
+                     revision='main', dst_label='src')
 
-        find_source_files(state),
+        find_source_files(state)
 
-        preprocess_fortran(state),
+        preprocess_fortran(state)
 
-        analyse(state, root_symbol='my_prog'),
+        analyse(state, root_symbol='my_prog')
 
-        compile_fortran(state),
-        link_exe(state),
+        compile_fortran(state)
+        link_exe(state)

run_configs/um/build_um.py

@@ -124,8 +124,11 @@ def replace_in_file(inpath, outpath, find, replace):
     revision = 'vn12.1'
     um_revision = revision.replace('vn', 'um')
 
-    state = BuildConfig(project_label=f'um atmos safe {revision} $compiler $two_stage',
-                        tool_box=ToolBox())
+    # The original build script disabled openmp, so for now
+    # we keep this disabled.
+    state = BuildConfig(
+        project_label=f'um atmos safe {revision} $compiler $two_stage',
+        mpi=True, openmp=False, tool_box=ToolBox())
 
     # compiler-specific flags
     compiler = state.tool_box[Category.FORTRAN_COMPILER]