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Fix SO_properties test and io_test #58

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Merged
merged 3 commits into from
Jan 10, 2024
Merged

Fix SO_properties test and io_test #58

merged 3 commits into from
Jan 10, 2024

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@robjmcgibbon
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This PR contains a couple of test fixes for #53 and #57. I've also added a script that will run all the tests, since some need to be run with mpi instead of with pytest.

#57 was an MPI error. I've added a fix, but I'm not sure what was causing the problem. The error is only thrown when I run io_test.py, I'm not able to trigger it when I actually run SOAP. If I multiply the array by 1 the error doesn't occur. Inserting the following code in shared_mesh.py

a = pos_min_local.value * 1
b = pos_min_local.value
print('Array equal:', np.array_equal(a, b))
print('Array dtypes:', a.dtype, b.dtype)
print(a.flags, '\n', b.flags)
c = np.empty_like(a)
try:
    comm.Allreduce(b, c, op=MPI.MIN)
except KeyError:
    traceback.print_exc()
    comm.Allreduce(a, c, op=MPI.MIN)
    print('a was reduced, b was not')

gives the following output:

Array equal: True
Array dtypes: float64 float64
  C_CONTIGUOUS : True
  F_CONTIGUOUS : True
  OWNDATA : True
  WRITEABLE : True
  ALIGNED : True
  WRITEBACKIFCOPY : False
  UPDATEIFCOPY : False
 
   C_CONTIGUOUS : True
  F_CONTIGUOUS : True
  OWNDATA : True
  WRITEABLE : True
  ALIGNED : True
  WRITEBACKIFCOPY : False
  UPDATEIFCOPY : False

Traceback (most recent call last):
  File "/cosma/home/dp004/dc-mcgi1/clean/SOAP/shared_mesh.py", line 53, in __init__
    comm.Allreduce(b, c, op=MPI.MIN)
  File "mpi4py/MPI/Comm.pyx", line 876, in mpi4py.MPI.Comm.Allreduce
  File "mpi4py/MPI/msgbuffer.pxi", line 754, in mpi4py.MPI._p_msg_cco.for_allreduce
  File "mpi4py/MPI/msgbuffer.pxi", line 692, in mpi4py.MPI._p_msg_cco.for_cro_send
  File "mpi4py/MPI/msgbuffer.pxi", line 203, in mpi4py.MPI.message_simple
  File "mpi4py/MPI/msgbuffer.pxi", line 145, in mpi4py.MPI.message_basic
KeyError: '<d'
a was reduced, b was not

@robjmcgibbon robjmcgibbon requested a review from jchelly January 3, 2024 15:38
@robjmcgibbon robjmcgibbon self-assigned this Jan 3, 2024
This was linked to issues Jan 3, 2024
Bug in SO_properties.py #53
Closed
Bug in io_test.py #57
Closed
@robjmcgibbon robjmcgibbon merged commit 8256fa8 into master Jan 10, 2024
@robjmcgibbon robjmcgibbon deleted the test_fixes branch January 10, 2024 16:16
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@MatthieuSchaller MatthieuSchaller MatthieuSchaller approved these changes

@jchelly jchelly Awaiting requested review from jchelly

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@robjmcgibbon robjmcgibbon

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Bug in io_test.py Bug in SO_properties.py

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@robjmcgibbon @MatthieuSchaller