Add 'verdi workflow kill' command

aiida/cmdline/commands/work.py

@@ -34,6 +34,7 @@ def __init__(self):
             'report': (self.cli, self.complete_none),
             'tree': (self.cli, self.complete_none),
             'checkpoint': (self.cli, self.complete_none),
+            'kill': (self.cli, self.complete_none),
         }
 
     def cli(self, *args):
@@ -264,3 +265,31 @@ def _build_query(order_by=None, limit=None, past_days=None):
         qb.limit(limit)
 
     return qb.iterdict()
+
+@work.command('kill', context_settings=CONTEXT_SETTINGS)
+@click.argument('pks', nargs=-1, type=int)
+def kill(pks):
+    from aiida import try_load_dbenv
+    try_load_dbenv()
+    from aiida.orm import load_node
+    from aiida.orm.calculation.work import WorkCalculation
+
+    nodes = [load_node(pk) for pk in pks]
+    workchain_nodes = [n for n in nodes if isinstance(n, WorkCalculation)]
+    running_workchain_nodes = [n for n in nodes if not n.has_finished()]
+
+    num_workchains = len(running_workchain_nodes)
+    if num_workchains > 0:
+        answer = click.prompt(
+            'Are you sure you want to kill {} workflows and all their children? [y/n]'.format(
+                num_workchains
+            )
+        ).lower()
+        if answer == 'y':
+            click.echo('Killing workflows.')
+            for n in running_workchain_nodes:
+                n.kill()
+        else:
+            click.echo('Abort!')
+    else:
+        click.echo('No pks of valid running workchains given.')

aiida/orm/implementation/general/calculation/work.py

@@ -10,6 +10,7 @@
 
 from aiida.orm.implementation.calculation import Calculation
 from aiida.common.lang import override
+from aiida.common.links import LinkType
 
 class WorkCalculation(Calculation):
     """
@@ -18,6 +19,7 @@ class WorkCalculation(Calculation):
     """
     FINISHED_KEY = '_finished'
     FAILED_KEY = '_failed'
+    ABORTED_KEY = '_aborted'
 
     @override
     def has_finished(self):
@@ -43,4 +45,17 @@ def has_failed(self):
         :return: True if the calculation has failed, False otherwise.
         :rtype: bool
         """
-        return self.get_attr(self.FAILED_KEY, False) is not False
+        return (
+            self.get_attr(self.FAILED_KEY, False) or
+            self.get_attr(self.ABORTED_KEY, False)
+        )
+
+    def kill(self):
+        """
+        Kill a WorkCalculation and all its children.
+        """
+        if not self.is_sealed:
+            self._set_attr(self.ABORTED_KEY, True)
+            self.seal()
+        for child in self.get_outputs(link_type=LinkType.CALL):
+            child.kill()

aiida/work/process.py

@@ -511,6 +511,7 @@ def on_monitored_process_failed(self, pid):
         except ValueError:
             pass
         else:
+            calc_node._set_attr(calc_node.FAILED_KEY, True)
             calc_node.seal()
         aiida.work.util.ProcessStack.pop(pid=pid)
 

aiida/work/workchain.py

@@ -221,8 +221,17 @@ def _run(self, **kwargs):
         self._stepper = self.spec().get_outline().create_stepper(self)
         return self._do_step()
 
+    @property
+    def _aborted(self):
+        return self._aborted_attr or self.calc.get_attr(self.calc.ABORTED_KEY, False)
+
+    @_aborted.setter
+    def _aborted(self, value):
+        self._aborted_attr = value
+
     def _do_step(self, wait_on=None):
         if self._aborted:
+            self.calc.kill()
             return
 
         for interstep in self._intersteps: