ARMCI DASSERT fail


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Thank you! Now it works however it gives be a strange answer:


                                     ESP   


1 C 0.013 0.126 0.000 32.712553
2 O 0.077 0.030 0.000 -13.579846
3 O -0.051 0.223 0.000 -29.008449
4 Mg -0.023 -0.232 0.000 11.875742
------------
2.000000

Dipole moment                    108.039817

Quadrupole moment Qxx           -373.476529
Qyy 596.123812
Qzz -222.647283

RMS deviation kJ/mol             258.764475

ABS deviation %                   84.794289

can you explain to me what's wrong?