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# fmt: off
"""Test runner classes to run exciting simulations using subproces."""
import pytest
import ase.calculators.exciting.runner
@pytest.mark.parametrize(
(
"binary, run_argv, omp_num_threads,"), [
("exciting_serial", ['./'], 1),
("exciting_purempi", ['mpirun', '-np', '1'], 1),
("exciting_smp", ['./'], 1),
("exciting_mpismp", ['mpirun', '-np', '1'], 1)
])
def test_class_simple_binary_runner_init(
tmpdir,
binary,
run_argv,
omp_num_threads,
excitingtools):
"""Test SimpleBinaryRunner."""
binary = tmpdir / 'binary.exe'
binary.write("Arbitrary text such that file exists")
runner = ase.calculators.exciting.runner.SimpleBinaryRunner(
binary=binary, run_argv=run_argv,
omp_num_threads=omp_num_threads,
directory=tmpdir,
args=[])
# Attributes
assert runner.binary == binary, "Binary erroneously initialised"
assert runner.run_argv == run_argv
assert runner.omp_num_threads == omp_num_threads
assert runner.directory == tmpdir
assert runner.args == []
def test_compose_execution_list(tmpdir):
"""Test SimpleBinaryRunner's compose execution list method."""
binary = tmpdir / 'binary.exe'
binary.write("Arbitrary text such that file exists")
runner = ase.calculators.exciting.runner.SimpleBinaryRunner(
binary=binary, run_argv=['mpirun', '-np', '2'], omp_num_threads=1,
directory=tmpdir,
args=['input.txt'])
# Attributes
assert runner.binary == binary
assert runner.run_argv == ['mpirun', '-np', '2']
assert runner.omp_num_threads == 1
assert runner.directory == tmpdir
assert runner.args == ['input.txt']
# Methods
execute = runner.compose_execution_list()
assert execute == ['mpirun', '-np', '2', str(binary), 'input.txt']
|
