[Debichem-devel] Bug#1089858: Bug#1089858: Error: in "diabatization_test/ER_coupling_test

[Nicholas Breen]

On Sat, Dec 14, 2024 at 01:11:11PM +0530, Aditi Mishra wrote:
[...]
> Following is the issue facing in ppc64 architecture:
> 
> 248: ... ... 2024-12-14 7:35:38 Data was created with basis set
> def2-svp./xtp/src/tests/test_diabatization.cc(92): error: in
> "diabatization_test/ER_coupling_test": difference{0.0507502} between
> angle_ref{0.7063121313715891} and angle{0.74215761789034962} exceeds
> 0.0050000000000000001
> 248: ./xtp/src/tests/test_diabatization.cc(109): error: in
> "diabatization_test/ER_coupling_test": difference{0.000153252} between
> diabatic_H_ref(0, 0){0.22035608577958943} and diabatic_H(0,
> 0){0.22038985587328A536} exceeds 0.0001
[...]

Hi Aditi,

Could you please attach a full build log?  I've been unable to reproduce
this error on a porterbox, and the package built successfully on the
ppc64 autobuilders.  Perhaps we have a slightly different setup.

Thanks.


-- 
Nicholas Breen
nbreen at debian.org