def checkArgs(args: argparse.Namespace) -> None:
good_modes: Iterable[str] = ("generate", "execute", "analyze")
if args.mode not in good_modes:
fatalError(
"'mode' is a required positional argument - options are 'generate', 'execute', 'analyze'"
)
if args.mode == "generate":
_checkGenerateArgs(args)
def _checkGenerateArgs(args: argparse.Namespace) -> None:
if args.gmx_version not in _SUPPORTED_GMX_VERSIONS:
fatalError("Invalid gmx version {}, must be one of {}".format(
args.gmx_version, sorted(_SUPPORTED_GMX_VERSIONS)))
if not args.cpu_ids and not args.num_cpus:
fatalError("One of --cpu_ids or --num_cpus is required")
if args.num_cpus:
if args.cpu_ids:
fatalError("Cannot specify both --cpu_ids and --num_cpus")
args.cpu_ids = ",".join(
[str(identifier) for identifier in range(args.num_cpus)])
if not args.gpu_ids and not args.num_gpus:
fatalError("One of --gpu_ids or --num_gpus is required")
if args.num_gpus:
if args.gpu_ids:
fatalError("Cannot specify both --gpu_ids and --num_gpus")
args.gpu_ids = ",".join(
[str(identifier) for identifier in range(args.num_gpus)])
def checkProcessorIDContent(cpu_ids: List[int]):
"""
Given an assigned value for cpu_ids, assure that
1. It is a list
2. The list contains all integers
3. The stride between integers is consistent.
Exits the program if a condition is not met.
"""
if not isinstance(cpu_ids, list):
utils.fatalError("Expected a list for parameter 'cpu_ids'")
if not all([isinstance(i, int) and i >= 0 for i in cpu_ids]):
utils.fatalError("Not all values in 'cpu_ids' are ints")
# case of empty list
if not cpu_ids:
return
if len(cpu_ids) > 1:
diff: int = cpu_ids[1] - cpu_ids[0]
for i, val in enumerate(cpu_ids[:-1]):
if (cpu_ids[i + 1] - val) != diff:
utils.fatalError("Inconsistent stride between cpu ids")
def gpu_ids(self, gpu_ids: List[int]):
try:
for item in gpu_ids:
if not isinstance(item, int):
utils.fatalError(
"All gpu ids must be integers: {} is not an int".
format(item))
if item < 0:
utils.fatalError("Cannot have a negative GPU ID")
self._gpu_ids = gpu_ids
except TypeError:
utils.fatalError("gpu_ids paramater must be iterable")
def testExitsCleanly(self):
with self.assertRaises(SystemExit) as cm:
utils.fatalError("message")
self.assertEqual(cm.exception.code, 1)
def testWritesMessage(self):
with self.assertRaises(SystemExit):
utils.fatalError("message")