Bug#838591: gcc-6: GROMACS compiled with gcc 6.2.0-4 fails the tests

2016-09-28 Thread Vedran Miletić
On 09/27/2016 09:20 PM, Matthias Klose wrote:
> reassign 838591 gromacs
> thanks
> 
> there is no evidence provided if gromacs has invalid code which is now 
> triggered
> by GCC 6, or of this is a real GCC issue.
> 
> Please provide a self-contained test case if possible.
> 

Indeed, after installing updates from unstable for the last few days
this is now working correctly, even though neither GROMACS nor GCC changed.

Apologies for misjudgment, please mark as invalid.

Thanks,
Vedran

-- 
Vedran Miletić
vedran.miletic.net



Bug#838591: [Debichem-devel] Processed: Re: Bug#838591: gcc-6: GROMACS compiled with gcc 6.2.0-4 fails the tests

2016-09-27 Thread Nicholas Breen
tags 838591 + moreinfo unreproducible
thanks

On Tue, Sep 27, 2016 at 07:24:06PM +, Debian Bug Tracking System wrote:
> Bug reassigned from package 'gcc-6' to 'gromacs'.

Hi Vedran,

I am not able to reproduce this failure with gromacs 2016-3 + gcc-6 6.2.0-4 in
a clean sid chroot.

If this is built against the Debian version of gromacs (it was unclear to me
from reading the bug report), additional information is necessary - exact
version, any nonstandard build options, the full configure/build log, and the
output of the failing tests. 

If it's not from a Debian source package and build environment, it's probably
best to take it to GROMACS upstream first.  However, if it's specific to a
build with OpenMPI, please check that you're either using the latest packages
or have downgraded all the way to a 1.x version - it's been undergoing a lot of
churn lately, and a number of packages depending on it have encountered various
test failures, often architecture-specific.


-- 
Nicholas Breen
nbr...@debian.org



Bug#838591: gcc-6: GROMACS compiled with gcc 6.2.0-4 fails the tests

2016-09-27 Thread Matthias Klose
reassign 838591 gromacs
thanks

there is no evidence provided if gromacs has invalid code which is now triggered
by GCC 6, or of this is a real GCC issue.

Please provide a self-contained test case if possible.

On 22.09.2016 19:09, Vedran Miletić wrote:
> Package: gcc-6
> Version: 6.2.0-4
> Severity: important
> 
> Dear Maintainer,
> 
> Building GROMACS branch release-2016 from source with gcc 6.2.0-4 and running
> tests results in:
> 
> Test project /home/vedranm/workspace/CompChem/gromacs/build-gcc
>   Start  1: TestUtilsUnitTests
>  1/20 Test  #1: TestUtilsUnitTests ...   Passed0.29 sec
>   Start  2: GmxlibTests
>  2/20 Test  #2: GmxlibTests ..   Passed0.06 sec
>   Start  3: MdlibUnitTest
>  3/20 Test  #3: MdlibUnitTest    Passed0.04 sec
>   Start  4: CommandLineUnitTests
>  4/20 Test  #4: CommandLineUnitTests .***Exception: SegFault  
> 0.07 sec
> [==] Running 46 tests from 6 test cases.
> [--] Global test environment set-up.
> [--] 3 tests from CommandLineHelpModuleTest
> [ RUN  ] CommandLineHelpModuleTest.PrintsGeneralHelp
> [   OK ] CommandLineHelpModuleTest.PrintsGeneralHelp (25 ms)
> [ RUN  ] CommandLineHelpModuleTest.PrintsHelpOnTopic
> 
>   Start  5: FFTUnitTests
>  5/20 Test  #5: FFTUnitTests .   Passed0.94 sec
>   Start  6: MathUnitTests
>  6/20 Test  #6: MathUnitTests    Passed0.05 sec
>   Start  7: RandomUnitTests
>  7/20 Test  #7: RandomUnitTests ..   Passed0.06 sec
>   Start  8: OnlineHelpUnitTests
>  8/20 Test  #8: OnlineHelpUnitTests ..***Exception: SegFault  
> 0.07 sec
> [==] Running 22 tests from 4 test cases.
> [--] Global test environment set-up.
> [--] 6 tests from TextTableFormatterTest
> [ RUN  ] TextTableFormatterTest.HandlesBasicCase
> [   OK ] TextTableFormatterTest.HandlesBasicCase (6 ms)
> [ RUN  ] TextTableFormatterTest.HandlesEmptyColumnTitles
> [   OK ] TextTableFormatterTest.HandlesEmptyColumnTitles (0 ms)
> [ RUN  ] TextTableFormatterTest.HandlesIndentation
> [   OK ] TextTableFormatterTest.HandlesIndentation (0 ms)
> [ RUN  ] TextTableFormatterTest.HandlesOverflowingLines
> [   OK ] TextTableFormatterTest.HandlesOverflowingLines (4 ms)
> [ RUN  ] TextTableFormatterTest.HandlesLastColumnFolding
> [   OK ] TextTableFormatterTest.HandlesLastColumnFolding (1 ms)
> [ RUN  ] TextTableFormatterTest.HandlesEmptyColumns
> [   OK ] TextTableFormatterTest.HandlesEmptyColumns (0 ms)
> [--] 6 tests from TextTableFormatterTest (12 ms total)
> 
> [--] 3 tests from HelpManagerTest
> [ RUN  ] HelpManagerTest.HandlesRootTopic
> 
>   Start  9: OptionsUnitTests
>  9/20 Test  #9: OptionsUnitTests .***Exception: SegFault  
> 0.03 sec
> [==] Running 74 tests from 10 test cases.
> [--] Global test environment set-up.
> [--] 5 tests from AbstractOptionStorageTest
> [ RUN  ] AbstractOptionStorageTest.HandlesSetInFinish
> 
>   Start 10: UtilityUnitTests
> 10/20 Test #10: UtilityUnitTests .   Passed0.14 sec
>   Start 11: FileIOTests
> 11/20 Test #11: FileIOTests ..   Passed0.07 sec
>   Start 12: SimdUnitTests
> 12/20 Test #12: SimdUnitTests    Passed0.18 sec
>   Start 13: LegacyToolsTests
> 13/20 Test #13: LegacyToolsTests .   Passed0.47 sec
>   Start 14: GmxPreprocessTests
> 14/20 Test #14: GmxPreprocessTests ...   Passed0.29 sec
>   Start 15: CorrelationsTest
> 15/20 Test #15: CorrelationsTest .   Passed0.79 sec
>   Start 16: AnalysisDataUnitTests
> 16/20 Test #16: AnalysisDataUnitTests ***Exception: SegFault  
> 0.06 sec
> [==] Running 69 tests from 14 test cases.
> [--] Global test environment set-up.
> [--] 3 tests from AnalysisDataInitializationTest
> [ RUN  ] AnalysisDataInitializationTest.BasicInitialization
> [   OK ] AnalysisDataInitializationTest.BasicInitialization (1 ms)
> [ RUN  ] AnalysisDataInitializationTest.ChecksMultiColumnModules
> [   OK ] AnalysisDataInitializationTest.ChecksMultiColumnModules (17 ms)
> [ RUN  ] AnalysisDataInitializationTest.ChecksMultipointModules
> [   OK ] AnalysisDataInitializationTest.ChecksMultipointModules (0 ms)
> [--] 3 tests from AnalysisDataInitializationTest (18 ms total)
> 
> [--] 8 tests from AnalysisDataCommonTest/0, where TypeParam = 
> (anonymous namespace)::SimpleInputData
> [ RUN  ] AnalysisDataCommonTest/0.CallsModuleCorrectly
> 
>   Start 17: SelectionUnitTests
> 17/20 Test #17: SelectionUnitTests ...   Passed0.72 sec
>   Start 18: TrajectoryAnalysisUnitTests
> 18/20 Test #18: TrajectoryAnalysisUnitTests ..***Exception: Seg

Bug#838591: gcc-6: GROMACS compiled with gcc 6.2.0-4 fails the tests

2016-09-22 Thread Vedran Miletić
Package: gcc-6
Version: 6.2.0-4
Severity: important

Dear Maintainer,

Building GROMACS branch release-2016 from source with gcc 6.2.0-4 and running
tests results in:

Test project /home/vedranm/workspace/CompChem/gromacs/build-gcc
  Start  1: TestUtilsUnitTests
 1/20 Test  #1: TestUtilsUnitTests ...   Passed0.29 sec
  Start  2: GmxlibTests
 2/20 Test  #2: GmxlibTests ..   Passed0.06 sec
  Start  3: MdlibUnitTest
 3/20 Test  #3: MdlibUnitTest    Passed0.04 sec
  Start  4: CommandLineUnitTests
 4/20 Test  #4: CommandLineUnitTests .***Exception: SegFault  0.07 
sec
[==] Running 46 tests from 6 test cases.
[--] Global test environment set-up.
[--] 3 tests from CommandLineHelpModuleTest
[ RUN  ] CommandLineHelpModuleTest.PrintsGeneralHelp
[   OK ] CommandLineHelpModuleTest.PrintsGeneralHelp (25 ms)
[ RUN  ] CommandLineHelpModuleTest.PrintsHelpOnTopic

  Start  5: FFTUnitTests
 5/20 Test  #5: FFTUnitTests .   Passed0.94 sec
  Start  6: MathUnitTests
 6/20 Test  #6: MathUnitTests    Passed0.05 sec
  Start  7: RandomUnitTests
 7/20 Test  #7: RandomUnitTests ..   Passed0.06 sec
  Start  8: OnlineHelpUnitTests
 8/20 Test  #8: OnlineHelpUnitTests ..***Exception: SegFault  0.07 
sec
[==] Running 22 tests from 4 test cases.
[--] Global test environment set-up.
[--] 6 tests from TextTableFormatterTest
[ RUN  ] TextTableFormatterTest.HandlesBasicCase
[   OK ] TextTableFormatterTest.HandlesBasicCase (6 ms)
[ RUN  ] TextTableFormatterTest.HandlesEmptyColumnTitles
[   OK ] TextTableFormatterTest.HandlesEmptyColumnTitles (0 ms)
[ RUN  ] TextTableFormatterTest.HandlesIndentation
[   OK ] TextTableFormatterTest.HandlesIndentation (0 ms)
[ RUN  ] TextTableFormatterTest.HandlesOverflowingLines
[   OK ] TextTableFormatterTest.HandlesOverflowingLines (4 ms)
[ RUN  ] TextTableFormatterTest.HandlesLastColumnFolding
[   OK ] TextTableFormatterTest.HandlesLastColumnFolding (1 ms)
[ RUN  ] TextTableFormatterTest.HandlesEmptyColumns
[   OK ] TextTableFormatterTest.HandlesEmptyColumns (0 ms)
[--] 6 tests from TextTableFormatterTest (12 ms total)

[--] 3 tests from HelpManagerTest
[ RUN  ] HelpManagerTest.HandlesRootTopic

  Start  9: OptionsUnitTests
 9/20 Test  #9: OptionsUnitTests .***Exception: SegFault  0.03 
sec
[==] Running 74 tests from 10 test cases.
[--] Global test environment set-up.
[--] 5 tests from AbstractOptionStorageTest
[ RUN  ] AbstractOptionStorageTest.HandlesSetInFinish

  Start 10: UtilityUnitTests
10/20 Test #10: UtilityUnitTests .   Passed0.14 sec
  Start 11: FileIOTests
11/20 Test #11: FileIOTests ..   Passed0.07 sec
  Start 12: SimdUnitTests
12/20 Test #12: SimdUnitTests    Passed0.18 sec
  Start 13: LegacyToolsTests
13/20 Test #13: LegacyToolsTests .   Passed0.47 sec
  Start 14: GmxPreprocessTests
14/20 Test #14: GmxPreprocessTests ...   Passed0.29 sec
  Start 15: CorrelationsTest
15/20 Test #15: CorrelationsTest .   Passed0.79 sec
  Start 16: AnalysisDataUnitTests
16/20 Test #16: AnalysisDataUnitTests ***Exception: SegFault  0.06 
sec
[==] Running 69 tests from 14 test cases.
[--] Global test environment set-up.
[--] 3 tests from AnalysisDataInitializationTest
[ RUN  ] AnalysisDataInitializationTest.BasicInitialization
[   OK ] AnalysisDataInitializationTest.BasicInitialization (1 ms)
[ RUN  ] AnalysisDataInitializationTest.ChecksMultiColumnModules
[   OK ] AnalysisDataInitializationTest.ChecksMultiColumnModules (17 ms)
[ RUN  ] AnalysisDataInitializationTest.ChecksMultipointModules
[   OK ] AnalysisDataInitializationTest.ChecksMultipointModules (0 ms)
[--] 3 tests from AnalysisDataInitializationTest (18 ms total)

[--] 8 tests from AnalysisDataCommonTest/0, where TypeParam = 
(anonymous namespace)::SimpleInputData
[ RUN  ] AnalysisDataCommonTest/0.CallsModuleCorrectly

  Start 17: SelectionUnitTests
17/20 Test #17: SelectionUnitTests ...   Passed0.72 sec
  Start 18: TrajectoryAnalysisUnitTests
18/20 Test #18: TrajectoryAnalysisUnitTests ..***Exception: SegFault  0.06 
sec
[==] Running 48 tests from 8 test cases.
[--] Global test environment set-up.
[--] 11 tests from AngleModuleTest
[ RUN  ] AngleModuleTest.ComputesSimpleAngles

WARNING: If there are molecules in the input trajectory file
 that are broken across periodic boundaries, they
 cannot be made whole (or treated as whole) without
 you providing a run input file.


  Start 19: MdrunT