def getProjects(self):
"""Get projects
REST: GET /projects.xml
Returns all accessible projects. This includes active, inactive, and archived projects.
"""
path = '/projects.xml'
rootElement = self.fromXML(self.get(path).contents)
# TODO: use special Array attribute
projects = []
for data in rootElement.getElementsByTagName('project'):
projects.append(Project.load(data))
return projects
def getProjects(self):
"""Get projects
REST: GET /projects.xml
Returns all accessible projects. This includes active, inactive, and archived projects.
"""
path = '/projects.xml'
rootElement = self.fromXML(self.get(path).contents)
# TODO: use special Array attribute
projects = []
for data in rootElement.getElementsByTagName('project'):
projects.append(Project.load(data))
return projects
def getProjectById(self, project_id):
"""Get project
REST: GET /projects/#{project_id}.xml
Returns a single project identified by its integer ID
"""
# ensure that we got numerical project id
assert isinstance(project_id, int)
path = '/projects/%d.xml' % project_id
response = self.get(path)
if response.status == 404:
raise NotFoundError, 'Project with %d id is not found!' % project_id
rootElement = self.fromXML(response.contents)
return Project.load(rootElement)
def getProjectById(self, project_id):
"""Get project
REST: GET /projects/#{project_id}.xml
Returns a single project identified by its integer ID
"""
# ensure that we got numerical project id
assert isinstance(project_id, int)
path = '/projects/%d.xml' % project_id
response = self.get(path)
if response.status == 404:
raise NotFoundError, 'Project with %d id is not found!' % project_id
rootElement = self.fromXML(response.contents)
return Project.load(rootElement)
def save(self, *args, **kwargs):
super(Task, self).save(*args, **kwargs)
self.project_set = [Project.get(p) for p in self.projects]
def save(self, *args, **kwargs):
super(Task, self).save(*args, **kwargs)
self.project_set = [ Project.get(p) for p in self.projects ]
def get_jobs(self, project=None, allocation=None, account=None, host=None):
"""
Check the calculation module specified by the `Task`, and returns
a list of :class:`Job` objects accordingly.
Calls the task's entry's "do" method with the `Task.module` as the
first argument, and passing `Task.kwargs` as keyword arguments.
Returns:
List of Job objects. When nothing is left to do for the
task, returns empty.
Raises:
ResourceUnavailableError:
Raise if for the specified project, allocation, account and/or host
there are no available cores.
"""
if host != None:
if not project:
projects = self.project_set.filter(allocations__host=host,
state=1)
project = random.choice(list(projects))
if not allocation:
allocations = project.allocations.filter(host=host, state=1)
allocation = random.choice(list(allocations))
elif project != None:
allocation = project.get_allocation()
if not allocation:
raise ResourceUnavailableError
else:
project = self.get_project()
if account is None:
if project is None:
account = allocation.get_account()
elif not allocation is None:
account = allocation.get_account(
users=list(project.users.all()))
calc = self.entry.do(self.module, **self.kwargs)
# Special case: Adjustments for certain clusters
if not allocation is None:
if host.name == 'quest':
# Special MPI call for quest Slurm
calc.instructions['mpi'] = 'mpirun -np $NPROCS'
if allocation.name == 'b1004':
# Can only run parallel VASP on b1004 allocation
calc.instructions['serial'] = False
calc.instructions['binary'] = 'vasp_53'
calc.instructions[
'queuetype'] = 'buyin' # queue type for b1004 is 'buyin'
elif allocation.name == 'd20829':
# Sheel doesn't have access to b1004 binaries
calc.instructions['binary'] = '~/vasp_53'
calc.instructions['queuetype'] = 'normal'
elif allocation.name == 'p30919':
calc.instructions['queuetype'] = 'short'
calc.instructions['serial'] = False
calc.instructions['nodes'] = 1
calc.instructions['ntasks'] = 4
calc.instructions['walltime'] = 3600 * 4
#calc.instructions['binary'] = 'vasp_53'
elif allocation.name == 'p31151':
calc.instructions['queuetype'] = 'short'
calc.instructions['serial'] = False
calc.instructions['nodes'] = 1
calc.instructions['ntasks'] = 4
calc.instructions['walltime'] = 3600 * 4
elif allocation.name == 'p30475':
calc.instructions['queuetype'] = 'short'
calc.instructions['serial'] = False
calc.instructions['nodes'] = 1
calc.instructions['ntasks'] = 16
calc.instructions['walltime'] = 3600 * 4
elif allocation.name == 'p30649':
calc.instructions['queuetype'] = 'short'
calc.instructions['serial'] = False
calc.instructions['nodes'] = 1
calc.instructions['ntasks'] = 16
calc.instructions['walltime'] = 3600 * 4
elif allocation.name == 'p31102':
calc.instructions['queuetype'] = 'short'
calc.instructions['serial'] = False
calc.instructions['nodes'] = 1
calc.instructions['ntasks'] = 16
calc.instructions['walltime'] = 3600 * 4
elif calc.entry.natoms < 9:
calc.instructions['queuetype'] = 'short'
calc.instructions['serial'] = False
calc.instructions['nodes'] = 1
calc.instructions['ntasks'] = 4
calc.instructions['walltime'] = 3600 * 4
elif calc.entry.natoms < 13:
calc.instructions['queuetype'] = 'short'
calc.instructions['serial'] = False
calc.instructions['nodes'] = 1
calc.instructions['ntasks'] = 16
calc.instructions['walltime'] = 3600 * 4
elif Project.get('pyrochlore') in calc.entry.projects:
calc.instructions['queuetype'] = 'short'
calc.instructions['serial'] = False
calc.instructions['nodes'] = 1
calc.instructions['ntasks'] = 16
calc.instructions['walltime'] = 3600 * 4
elif calc.entry.natoms > 19:
calc.instructions['queuetype'] = 'normal'
calc.instructions['nodes'] = 1
calc.instructions['ntasks'] = 16
else:
calc.instructions['queuetype'] = 'normal'
if allocation.name == 'bebop':
# Special MPI call for bebop
calc.instructions['mpi'] = 'mpirun -psm2 -np $NPROCS'
if allocation.name == 'xsede':
# Special MPI call for xsede
calc.instructions['mpi'] = 'mpirun -np $NPROCS'
if allocation.name == 'babbage':
# Check if calculation is parallel
if 'serial' in calc.instructions and not calc.instructions[
'serial']:
# Different MPI call on Babbage
calc.instructions[
'mpi'] = 'mpirun -np $NPROCS -machinefile $PBS_NODEFILE -tmpdir /scratch'
jobs = []
if calc.instructions:
self.state = 1
new_job = Job.create(task=self,
allocation=allocation,
account=account,
entry=self.entry,
**calc.instructions)
jobs.append(new_job)
calc.save()
elif calc.converged:
self.complete()
else:
self.state = -1
return jobs
