def run(self):
"""Run the calculation job.
This means invoking the `presubmit` and storing the temporary folder in the node's repository. Then we move the
process in the `Wait` state, waiting for the `UPLOAD` transport task to be started.
"""
if self.inputs.metadata.dry_run:
from aiida.common.folders import SubmitTestFolder
from aiida.engine.daemon.execmanager import upload_calculation
from aiida.transports.plugins.local import LocalTransport
with LocalTransport() as transport:
with SubmitTestFolder() as folder:
calc_info = self.presubmit(folder)
transport.chdir(folder.abspath)
upload_calculation(self.node, transport, calc_info, folder, inputs=self.inputs, dry_run=True)
self.node.dry_run_info = {
'folder': folder.abspath,
'script_filename': self.node.get_option('submit_script_filename')
}
return plumpy.Stop(None, True)
# The following conditional is required for the caching to properly work. Even if the source node has a process
# state of `Finished` the cached process will still enter the running state. The process state will have then
# been overridden by the engine to `Running` so we cannot check that, but if the `exit_status` is anything other
# than `None`, it should mean this node was taken from the cache, so the process should not be rerun.
if self.node.exit_status is not None:
return self.node.exit_status
# Launch the upload operation
return plumpy.Wait(msg='Waiting to upload', data=UPLOAD_COMMAND)
def run(self):
"""Run the calculation job.
This means invoking the `presubmit` and storing the temporary folder in the node's repository. Then we move the
process in the `Wait` state, waiting for the `UPLOAD` transport task to be started.
"""
from aiida.orm import Code, load_node
from aiida.common.folders import SandboxFolder, SubmitTestFolder
from aiida.common.exceptions import InputValidationError
# The following conditional is required for the caching to properly work. Even if the source node has a process
# state of `Finished` the cached process will still enter the running state. The process state will have then
# been overridden by the engine to `Running` so we cannot check that, but if the `exit_status` is anything other
# than `None`, it should mean this node was taken from the cache, so the process should not be rerun.
if self.node.exit_status is not None:
return self.node.exit_status
if self.inputs.metadata.dry_run:
folder_class = SubmitTestFolder
else:
folder_class = SandboxFolder
with folder_class() as folder:
computer = self.node.computer
if not self.inputs.metadata.dry_run and self.node.has_cached_links():
raise exceptions.InvalidOperation('calculation node has unstored links in cache')
calc_info, script_filename = self.presubmit(folder)
calc_info.uuid = str(self.uuid)
input_codes = [load_node(_.code_uuid, sub_classes=(Code,)) for _ in calc_info.codes_info]
for code in input_codes:
if not code.can_run_on(computer):
raise InputValidationError(
'The selected code {} for calculation {} cannot run on computer {}'.format(
code.pk, self.node.pk, computer.name))
# After this call, no modifications to the folder should be done
self.node.put_object_from_tree(folder.abspath, force=True)
if self.inputs.metadata.dry_run:
from aiida.engine.daemon.execmanager import upload_calculation
from aiida.transports.plugins.local import LocalTransport
with LocalTransport() as transport:
transport.chdir(folder.abspath)
upload_calculation(self.node, transport, calc_info, script_filename, dry_run=True)
self.node.dry_run_info = {
'folder': folder.abspath,
'script_filename': script_filename
}
return plumpy.Stop(None, True)
# Launch the upload operation
return plumpy.Wait(msg='Waiting to upload', data=(UPLOAD_COMMAND, calc_info, script_filename))
def run(self):
self.out('greeting', 'Hello {:}!'.format(self.inputs.name))
return plumpy.Stop(None, True)
def run(self, **kwargs):
s = "Hello {:}!".format(self.inputs.name)
self.out("greeting", s)
return plumpy.Stop(None, True)