Coverage for gpaw/test/parallel/test_compare.py: 50%

1from ase import Atoms 

2from gpaw import GPAW 

3from gpaw.mpi import rank, size 

4 

5 

6def test_parallel_compare(): 

7 a = 3.0 

8 H = Atoms('H', 

9 cell=(a, a, a), 

10 pbc=True, 

11 calculator=GPAW(mode='fd')) 

12 if size > 1: 

13 H.positions[0, 0] += 0.01 * rank 

14 try: 

15 H.get_potential_energy() 

16 except ValueError as e: 

17 err_ranks = e.args[1] 

18 assert (err_ranks == range(1, size)).all() 

19 else: 

20 assert False