diff --git a/docs/source/overview.configset.rst b/docs/source/overview.configset.rst index d8c2c795..e5f0a1d9 100644 --- a/docs/source/overview.configset.rst +++ b/docs/source/overview.configset.rst @@ -22,8 +22,9 @@ Input and output of atomic structures To efficiently restart interrupted operations, if the ``OutputSpec`` object specifies storing the output data in a file, autoparallelized workflow operations will use the existing file instead of redoing the calculation. If the workflow code (or any functions that are called by it, directly or indirectly) are changed, this will not - be detected, the the previous, perhaps no longer correct, output will still be used. - The user is required to manually delete output files from operations that have been changed. + be detected, and the previous, perhaps no longer correct, output will still be used. + The user must manually delete output files from operations that have been changed to force + the calculation to be redone. Users should consult the simple example in :doc:`first_example`, or the documentation of the two classes at :meth:`wfl.configset.ConfigSet` and :meth:`wfl.configset.OutputSpec` diff --git a/docs/source/overview.queued.md b/docs/source/overview.queued.md index 9befd385..6c16b354 100644 --- a/docs/source/overview.queued.md +++ b/docs/source/overview.queued.md @@ -111,14 +111,16 @@ duplicate submission is indeed correct). All functions already ignore the The hashing mechanism is only designed for interrupted runs, and does not detect changes to the called function (or to any functions that function calls). If the code is being modified, the user should erase the -`ExPyRe` staged job directories, and clean up the sqlite database file, +`ExPyRe` staged job directories, and clean up the `sqlite` database file, before rerunning. Using a per-project `_expyre` directory makes this easier, since the database file can simply be erased, otherwise the `xpr` command line tool needs to be used to delete the previously created jobs. Note that this is only relevant to incomplete autoparallelized -operations, since any completed operation no longer depends on anything -`ExPyRe`-related. See the corresponding warning in :doc:`overview.configset`. +operations, since any completed operation (once all the remote job outputs have +been gathered into the location specified in the `OutputSpec`) no longer depends on +anything `ExPyRe`-related. See also the warning in the +`OutputSpec` [documentation](overview.configset). ``` ## WFL\_EXPYRE\_INFO syntax