Your message dated Thu, 13 Mar 2025 11:22:13 -0700
with message-id <20250313182213.gb18...@ofb.net>
and subject line Re: Bug#1089858: Error: in "diabatization_test/ER_coupling_test
has caused the Debian Bug report #1089858,
regarding Error: in "diabatization_test/ER_coupling_test
to be marked as done.
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1089858: https://bugs.debian.org/cgi-bin/bugreport.cgi?bug=1089858
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--- Begin Message ---
Source: Votca
Version: 2024.2-1
Severity: serious
Justification: ftbfs patch
Hi,
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
248: ./xtp/src/tests/test_diabatization.cc(110): error: in
"diabatization_test/ER_coupling_test": difference{0.00885654} between
diabatic_H_ref(0, 1){0.00046877322591792892} and diabatic_H(0,
1){0.00047292493502743005} exceeds 0.001
248: ./xtp/src/tests/test_diabatization.cc(111): error: in
"diabatization_test/ER_coupling_test": difference{0.00885654} between
diabatic_H_ref(1, 0){0.00046877322591794279} and diabatic_H(1,
0){0.00047292493502744393} exceeds 0.001
248: ./xtp/src/tests/test_diabatization.cc(112): error: in
"diabatization_test/ER_coupling_test": difference{0.000153172} between
diabatic_H_ref(1, 1){0.22050562862974854} and diabatic_H(1,
1){0.22047185853605261} exceeds 0.0001
248:
248: ... ... 2024-12-14 7:35:39 Dipole Moment excited state 1
0.0214404 -0.239573 -2.74726e-05
I'll send my fix patch in the thread.
Thanks and regards,
Aditi
--- End Message ---
--- Begin Message ---
On Tue, Dec 17, 2024 at 07:54:40PM -0800, Nicholas Breen wrote:
> 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.
No response received, and I still haven't been able to reproduce, so I'm
closing this report. Please feel free to reopen or submit a new bug if
the issue reappears. Thanks!
--
Nicholas Breen
nbr...@debian.org
--- End Message ---
