def testNoGoodDecompositionForMultipleGpus(self):
# with 2 gpus and 3 cpus, the only decomposition is the original
self.config.cpu_ids = [0, 1, 2]
self.config.gpu_ids = [0, 1]
result = generateConfigSplitOptions(self.config)
self.assertCountEqual(self.expected_base, result)
def testOnlyPrimeDivision(self):
self.config.cpu_ids = [0, 1, 2]
self.config.gpu_ids = [0]
options = [HardwareConfig(cpu_ids=[i], gpu_ids=[0]) for i in range(3)]
self.expected_base.append(options)
result = generateConfigSplitOptions(self.config)
self.assertCountEqual(self.expected_base, result)
def testMultipleDecompositionWithOddRankOption(self):
# with 6 cpus and 3 gpus, the 3x option exists but not the 2x
self.config.cpu_ids = [0, 1, 2, 3, 4, 5]
self.config.gpu_ids = [0, 1, 2]
single_cpu_option = [HardwareConfig(cpu_ids=[i], gpu_ids=[math.floor(i / 2)]) for i in range(6)]
two_cpu_option = [HardwareConfig(cpu_ids=[i, i+1], gpu_ids=[gpu_id]) for gpu_id, i in enumerate((0, 2, 4))]
self.expected_base.append(single_cpu_option)
self.expected_base.append(two_cpu_option)
result = generateConfigSplitOptions(self.config)
self.assertCountEqual(self.expected_base, result)
def testMultipleDecompositionWithOneGpu(self):
self.config.cpu_ids = [0, 1, 2, 3]
self.config.gpu_ids = [0]
single_cpu_option = [HardwareConfig(cpu_ids=[i], gpu_ids=[0]) for i in range(4)]
double_cpu_option = [HardwareConfig(cpu_ids=[i, i + 1], gpu_ids=[0]) for i in (0, 2)]
self.expected_base.append(single_cpu_option)
self.expected_base.append(double_cpu_option)
result = generateConfigSplitOptions(self.config)
self.assertCountEqual(self.expected_base, result)
def testMultipleDecompositionWithMultipleGpus(self):
# with 6 cpus and 2 gpus, the 3x option should not exist
self.config.cpu_ids = [0, 1, 2, 3, 4, 5]
self.config.gpu_ids = [0, 1]
single_cpu_option = [HardwareConfig(cpu_ids=[i], gpu_ids=[math.floor(i / 3)]) for i in range(6)]
three_cpu_option = [HardwareConfig(cpu_ids=[i, i+1, i+2], gpu_ids=[gpu_id]) for gpu_id, i in enumerate((0, 3))]
self.expected_base.append(single_cpu_option)
self.expected_base.append(three_cpu_option)
result = generateConfigSplitOptions(self.config)
self.assertCountEqual(self.expected_base, result)
def testLimitSimsPerGpuDefault(self):
# This case tests that there is no config with 1 CPU - there would be 6, which
# violates the max of 4.
self.config.cpu_ids = [0, 1, 2, 3, 4, 5]
self.config.gpu_ids = [0]
self.expected_base.append([HardwareConfig(cpu_ids=[0, 1, 2], gpu_ids=[0]),
HardwareConfig(cpu_ids=[3, 4, 5], gpu_ids=[0])])
self.expected_base.append([HardwareConfig(cpu_ids=[0, 1], gpu_ids=[0]),
HardwareConfig(cpu_ids=[2, 3], gpu_ids=[0]),
HardwareConfig(cpu_ids=[4, 5], gpu_ids=[0])])
result = generateConfigSplitOptions(self.config)
self.assertCountEqual(self.expected_base, result)
def _executeGenerateWorkflow(args: argparse.Namespace) -> None:
logger: logging.Logger = logging.getLogger("gromax")
logger.info("Generating run options.")
# Assign hardware config
cpu_ids: List[int] = parseIDString(args.cpu_ids)
logger.info("CPU IDs: {}".format(cpu_ids))
num_cpus: int = len(cpu_ids)
if num_cpus % 2 == 1:
logger.warning(
"Detected an odd number of CPU IDs ({}), this is atypical.".format(
num_cpus))
gpu_ids: List[int] = parseIDString(args.gpu_ids)
logger.info("GPU IDs: {}".format(gpu_ids))
num_gpus: int = len(gpu_ids)
modval: int = num_cpus % num_gpus
if modval != 0:
logger.warning(
"Number of CPUs({}) is not divisible by the number of GPUs({}), will only use {} CPUs."
.format(num_cpus, num_gpus, num_cpus - modval))
cpu_ids = cpu_ids[:-modval]
hw_config: HardwareConfig = HardwareConfig(cpu_ids=cpu_ids,
gpu_ids=gpu_ids)
generate_options: GenerateOptions = _populateGenerateOptions(args)
if args.single_sim_only:
config_splits: List[List[HardwareConfig]] = [[hw_config]]
else:
config_splits: List[List[HardwareConfig]] = generateConfigSplitOptions(
hw_config, max_sims_per_gpu=generate_options.max_sims_per_gpu)
logger.debug("Generated {} hardware config breakdowns".format(
len(config_splits)))
run_opts: List[List[Dict]] = []
for config_split in config_splits:
run_opts.extend(
createRunOptionsForConfigGroup(config_split, args.gmx_version,
generate_options))
# Serialize options.
out_file: str = args.run_file
# TODO Make this configurable and robust
gmx: str = args.gmx_executable + " mdrun"
tpr: str = args.tpr
num_trials: int = args.trials_per_group
WriteRunScript(out_file, ParamsToString(run_opts, tpr, gmx, num_trials))
def testNoGpu(self):
self.config.cpu_ids = [0, 1, 2, 3]
self.config.gpu_ids = []
result = generateConfigSplitOptions(self.config)
self.assertCountEqual(self.expected_base, result)