#1006382 apbs: failing autopkgtest on one of ci.d.n amd64 workers

Package:
src:apbs
Source:
apbs
Submitter:
Paul Gevers
Date:
2022-05-31 07:51:08 UTC
Severity:
serious
Tags:
Blocked By:
Bug Title
1008726

  3

apbs 3.4 requires FETK which does not support system SuperLU

normal about 4 years ago

#1006382#5
Date:
2022-02-24 18:18:27 UTC
From:
To:
Dear maintainer(s),

I looked at the results of the autopkgtest of you package on amd64
because it showed up as regressions (due to timeout) for multiple
packages. I recently replaced one of our amd64 hosts and it seems that
all jobs that were scheduled on that host since then fail, while the
other workers (including the other architectures) are OK. The host is
rather powerful: 56 CPU's, 384 GB RAM. Looking at the text in the log it
seems the test is finished, but doesn't close properly. I suspect a race
condition.

Don't hesitate to contact us at debian-ci@lists.debian.org if you need
help debugging this issue.

Paul

https://ci.debian.net/packages/a/apbs/testing/amd64/

https://ci.debian.net/data/autopkgtest/testing/amd64/a/apbs/19529862/log.gz
----------------------------------------
CALCULATION #5 (rna): MULTIGRID
   Setting up problem...
   Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
   Debye length:  19.4227 A
   Current memory usage:  208.541 MB total, 428.140 MB high water
   Using cubic spline charge discretization.
   Grid dimensions: 65 x 97 x 129
   Grid spacings: 0.708 x 0.572 x 0.643
   Grid lengths: 45.332 x 54.950 x 82.263
   Grid center: (13.822, 5.283, 8.258)
   Multigrid levels: 4
   Molecule ID: 3
   Nonlinear traditional PBE
   Single Debye-Huckel sphere boundary conditions
   2 ion species (0.025 M ionic strength):
     2.000 A-radius, 1.000 e-charge, 0.025 M concentration
     2.000 A-radius, -1.000 e-charge, 0.025 M concentration
   Solute dielectric: 4.000
   Solvent dielectric: 80.000
   Using "molecular" surface definition; no smoothing
   Solvent probe radius: 1.400 A
   Temperature:  298.150 K
   Electrostatic energies will be calculated
   Total electrostatic energy = 2.329205982055E+04 kJ/mol
   Calculating forces...
----------------------------------------
CALCULATION #6 (rna): MULTIGRID
   Setting up problem...
   Vpbe_ctor:  Using max ion radius (2 A) for exclusion function
   Debye length:  19.4227 A
   Current memory usage:  208.541 MB total, 428.140 MB high water
   Using cubic spline charge discretization.
   Grid dimensions: 65 x 97 x 129
   Grid spacings: 0.708 x 0.545 x 0.534
   Grid lengths: 45.332 x 52.323 x 68.390
   Grid center: (13.822, 5.283, 8.258)
   Multigrid levels: 4
   Molecule ID: 3
   Nonlinear traditional PBE
   Boundary conditions from focusing
   2 ion species (0.025 M ionic strength):
     2.000 A-radius, 1.000 e-charge, 0.025 M concentration
     2.000 A-radius, -1.000 e-charge, 0.025 M concentration
   Solute dielectric: 4.000
   Solvent dielectric: 80.000
   Using "molecular" surface definition; no smoothing
   Solvent probe radius: 1.400 A
   Temperature:  298.150 K
   Electrostatic energies will be calculated
   Ion charge density to be written to qdens-rna-0.025.dx
   Ion number density to be written to ndens-rna-0.025.dx
   Total electrostatic energy = 2.653636629928E+04 kJ/mol
   Calculating forces...
   Writing charge density to qdens-rna-0.025-PE0.dx
   Writing number density to ndens-rna-0.025-PE0.dx
----------------------------------------
PRINT STATEMENTS

print energy 1 (complex) - 2 (peptide) - 3 (rna) end
   Local net energy (PE 0) = 8.674116429351E+01 kJ/mol
   Global net ELEC energy = 8.674116429351E+01 kJ/mol
----------------------------------------
CLEANING UP AND SHUTTING DOWN...
Destroying force arrays.
No energy arrays to destroy.
Destroying multigrid structures.
Destroying 3 molecules
Final memory usage:  0.001 MB total, 428.140 MB high water


Thanks for using APBS!

autopkgtest [13:12:07]: ERROR: timed out on command "su -s /bin/bash
debci -c set -e; export USER=`id -nu`; . /etc/profile >/dev/null 2>&1 ||
true;  . ~/.profile >/dev/null 2>&1 || true;
buildtree="/tmp/autopkgtest-lxc.tstul8x9/downtmp/build.FHv/src"; mkdir
-p -m 1777 -- 
"/tmp/autopkgtest-lxc.tstul8x9/downtmp/test-apbs-artifacts"; export
AUTOPKGTEST_ARTIFACTS="/tmp/autopkgtest-lxc.tstul8x9/downtmp/test-apbs-artifacts";
export ADT_ARTIFACTS="$AUTOPKGTEST_ARTIFACTS"; mkdir -p -m 755
"/tmp/autopkgtest-lxc.tstul8x9/downtmp/autopkgtest_tmp"; export
AUTOPKGTEST_TMP="/tmp/autopkgtest-lxc.tstul8x9/downtmp/autopkgtest_tmp";
export ADTTMP="$AUTOPKGTEST_TMP"; export DEBIAN_FRONTEND=noninteractive;
export LANG=C.UTF-8; export DEB_BUILD_OPTIONS=parallel=56; unset
LANGUAGE LC_CTYPE LC_NUMERIC LC_TIME LC_COLLATE   LC_MONETARY
LC_MESSAGES LC_PAPER LC_NAME LC_ADDRESS   LC_TELEPHONE LC_MEASUREMENT
LC_IDENTIFICATION LC_ALL;rm -f /tmp/autopkgtest_script_pid; set -C; echo
$$ > /tmp/autopkgtest_script_pid; set +C; trap "rm -f
/tmp/autopkgtest_script_pid" EXIT INT QUIT PIPE; cd "$buildtree"; chmod
+x
/tmp/autopkgtest-lxc.tstul8x9/downtmp/build.FHv/src/debian/tests/test-apbs;
touch /tmp/autopkgtest-lxc.tstul8x9/downtmp/test-apbs-stdout
/tmp/autopkgtest-lxc.tstul8x9/downtmp/test-apbs-stderr;
/tmp/autopkgtest-lxc.tstul8x9/downtmp/build.FHv/src/debian/tests/test-apbs
2> >(tee -a /tmp/autopkgtest-lxc.tstul8x9/downtmp/test-apbs-stderr >&2)
 > >(tee -a /tmp/autopkgtest-lxc.tstul8x9/downtmp/test-apbs-stdout);"
(kind: test)
autopkgtest [13:12:07]: test test-apbs: -----------------------]

#1006382#10
Date:
2022-05-31 07:30:15 UTC
From:
To:
Hello,

Bug #1006382 in apbs reported by you has been fixed in the
Git repository and is awaiting an upload. You can see the commit
message below and you can check the diff of the fix at:

https://salsa.debian.org/debichem-team/apbs/-/commit/3333cef4e753adaee7887668ed6708cc966f474e
------------------------------------------------------------------------
upload 3.4.1-2 to unstable

FETK is now provided (built against system SuperLU),
and debci tests pass.

Closes: #1006382, #1008726.
------------------------------------------------------------------------

(this message was generated automatically)
-- 
Greetings

https://bugs.debian.org/1006382

#1006382#17
Date:
2022-05-31 07:49:07 UTC
From:
To:
We believe that the bug you reported is fixed in the latest version of
apbs, which is due to be installed in the Debian FTP archive.

A summary of the changes between this version and the previous one is
attached.

Thank you for reporting the bug, which will now be closed.  If you
have further comments please address them to 1006382@bugs.debian.org,
and the maintainer will reopen the bug report if appropriate.

Debian distribution maintenance software
pp.
Drew Parsons <dparsons@debian.org> (supplier of updated apbs package)

(This message was generated automatically at their request; if you
believe that there is a problem with it please contact the archive
administrators by mailing ftpmaster@ftp-master.debian.org)
Format: 1.8
Date: Tue, 31 May 2022 02:52:47 +0200
Source: apbs
Architecture: source
Version: 3.4.1-2
Distribution: unstable
Urgency: medium
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Changed-By: Drew Parsons <dparsons@debian.org>
Closes: 979339 1006382 1008726
Changes:
 apbs (3.4.1-2) unstable; urgency=medium
 .
   * Team upload.
   * Build-Depends-Indep: python3-yaml (to build docs)
   * add specific copyright entries for FETK components
     punc/src/pmg (GPL) and punc/src/vf2c (AT&T)
   * patch FETK punc component vf2c/uninit.c to not run __mips block on
     linux
   * don't double-up bin dir in path for apbs tools. Closes: #979339.
   * debian/rules: run build-time tests after dh_auto_install
   * FETK is now provided (built against system SuperLU), and debci
     tests pass. Closes: #1006382, #1008726.
Checksums-Sha1:
 3e73492bbe130f6525c0950512f2b399cbdaceda 2639 apbs_3.4.1-2.dsc
 9aa10d8ef734ac5ee65538f9207220548b3afed3 20287852 apbs_3.4.1-2.debian.tar.xz
Checksums-Sha256:
 dc4c8d42b8e3db875bb195a630eb10c065af8e5b4167674f6c858f9ac2c3e485 2639 apbs_3.4.1-2.dsc
 66c7f9549abeb20cd76f3b1d80f1dc85a809559d15fcb5e00bc6937be1eeb0e0 20287852 apbs_3.4.1-2.debian.tar.xz
Files:
 373fdfab5204e5e7da4a044295dc35d3 2639 science optional apbs_3.4.1-2.dsc
 74b2b3406bc62b43bcdbd0c09042125f 20287852 science optional apbs_3.4.1-2.debian.tar.xz
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