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4 changes: 2 additions & 2 deletions arc/job/adapter.py
Original file line number Diff line number Diff line change
Expand Up @@ -591,9 +591,9 @@ def set_cpu_and_mem(self):
self.cpu_cores = self.cpu_cores or job_cpu_cores
max_mem = servers[self.server].get('memory', None) if self.server is not None else 32.0 # Max memory per node in GB.
job_max_server_node_memory_allocation = default_job_settings.get('job_max_server_node_memory_allocation', 0.95)
if max_mem is not None and self.job_memory_gb > max_mem * job_max_server_node_memory_allocation:
if max_mem is not None and self.job_memory_gb >= max_mem * job_max_server_node_memory_allocation:
logger.warning(f'The memory for job {self.job_name} using {self.job_adapter} ({self.job_memory_gb} GB) '
f'exceeds {100 * job_max_server_node_memory_allocation}% of the the maximum node memory on '
f'reaches {100 * job_max_server_node_memory_allocation}% of the the maximum node memory on '
f'{self.server}. Setting it to {job_max_server_node_memory_allocation * max_mem:.2f} GB.')
self.job_memory_gb = job_max_server_node_memory_allocation * max_mem
total_submit_script_memory_mib = math.ceil(self.job_memory_gb * MEMORY_GB_TO_MIB * CAPPED_JOB_MEMORY_OVERHEAD)
Expand Down
20 changes: 19 additions & 1 deletion arc/job/adapter_test.py
Original file line number Diff line number Diff line change
Expand Up @@ -22,7 +22,8 @@
from arc.level import Level
from arc.species import ARCSpecies

servers, submit_filenames = settings['servers'], settings['submit_filenames']
default_job_settings, servers, submit_filenames = \
settings['default_job_settings'], settings['servers'], settings['submit_filenames']


class TestEnumerationClasses(unittest.TestCase):
Expand Down Expand Up @@ -250,6 +251,23 @@ def test_set_cpu_and_mem(self):
self.assertEqual(self.job_4.submit_script_memory, expected_memory)
self.job_4.server = 'local'

capped_memory_gb = servers['server2']['memory'] \
* default_job_settings['job_max_server_node_memory_allocation']
original_job_memory_gb = self.job_4.job_memory_gb
self.addCleanup(setattr, self.job_4, 'job_memory_gb', original_job_memory_gb)
self.addCleanup(setattr, self.job_4, 'server', 'local')
self.job_4.server = 'server2'
self.job_4.cpu_cores = None
self.job_4.job_memory_gb = capped_memory_gb
self.job_4.set_cpu_and_mem()
self.assertEqual(self.job_4.job_memory_gb, capped_memory_gb)
self.assertEqual(self.job_4.submit_script_memory_mib, math.ceil(capped_memory_gb * 1024 * 1.05))
self.assertLess(self.job_4.submit_script_memory_mib, servers['server2']['memory'] * 1024)
self.assertIn('max_total_job_memory', self.job_4.job_status[1]['keywords'])
self.job_4.job_status[1]['keywords'].remove('max_total_job_memory')
self.job_4.job_memory_gb = original_job_memory_gb
self.job_4.server = 'local'

def test_set_file_paths(self):
"""Test setting up the job's paths"""
self.assertEqual(self.job_1.local_path, os.path.join(self.job_1.project_directory, 'calcs', 'Species',
Expand Down
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