Segmentation Fault with casm update

[andrew-pike-th]

I recently updated to casm 1.2.0 and now when I run "casm update" I get a Segmentation Fault. I was wondering if you help me solve this. Here is the output when I run casm update:

-- Read: Settings -- { "force" : false, "mapping" : { "cost_tol" : 0.000010000000, "fix_lattice" : false, "fix_volume" : false, "ideal" : false, "k_best" : 1, "lattice_weight" : 0.500000000000, "max_va_frac" : 0.500000000000, "max_vol_change" : 0.300000000000, "min_va_frac" : 0.000000000000, "primitive_only" : false, "robust" : false, "strict" : false } }

Updating data records for SCEL1_1_1_1_0_0_0/0 Segmentation fault

[bpuchala]

Thank you for the report. The more I have to reproduce the issue the better I can check. If you could post or email ([email protected]) the exact command, settings file (if used), and the properties.calc.json file for that configuration it would be helpful.

[andrew-pike-th]

Hi, thanks for the quick reply. The exact command is "casm update". I did not use a settings file. The properties.calc.json is pasted below:

{ "atom_coords": [ [0.0, 0.0, 0.0] ], "atom_properties": { "Cmagspin": { "value": [ [ 0.947 ] ] }, "force": { "value": [] } }, "atom_type": [ "Mn" ], "coordinate_mode": "Direct", "global_properties": { "Cmagspin": { "value": 0.9509 }, "energy": { "value": -8.8857031 } }, "lattice_vectors": [ [-1.3943994808536302, 1.3943994808536302, 1.3943994808536302], [1.3943994808536302, -1.3943994808536302, 1.3943994808536302], [1.3943994808536302, 1.3943994808536302, -1.3943994808536302] ] }

[andrew-pike-th]

I have found that the issue is the empty value for the force in the properties.calc.json. I manually changed it to "value": [[0,0,0]] for both configurations in SCEL1_1_1_1_0_0_0 and could run "casm update" without error. Is it possible that a bug caused the "value" to be empty in the first place?