1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
|
# fmt: off
from ase.calculators.abinit import AbinitTemplate
from ase.calculators.espresso import EspressoTemplate
from ase.config import Config
def test_socketio_mpi_generator():
cfg = Config()
cfg.parser["espresso"] = {"command": "mpiexec pw.x", "pseudo_dir": "test"}
cfg.parser["abinit"] = {"command": "mpirun abinit"}
for temp_class in [EspressoTemplate, AbinitTemplate]:
template = temp_class()
profile = template.load_profile(cfg)
socket_argv = template.socketio_argv(profile, "UNIX:TEST", None)
profile_command = profile.get_command(
inputfile=None,
calc_command=socket_argv
)
assert profile_command == [*profile.command.split(), *socket_argv]
|
