[gmx-users] Legacy Test Failure with GMX 5.1.4

[Daniel Kozuch]

Hello,

I am recompiling GROMACS on a new compute node and I am getting a unit test
failure (shown below). I am compiling with GNU 4.8.5 and the following
cmake commands:
cmake .. -DCMAKE_INSTALL_PREFIX=[redacted] -DGMX_MPI=on -DGMX_GPU=off
-DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON -DGMX_THREAD_MPI=off.

I am unsure how to fix this error, does anyone have any suggestions?

Best,
Dan

     Start  1: TestUtilsUnitTests
 1/26 Test  #1: TestUtilsUnitTests ...............   Passed    0.57 sec
      Start  2: GmxlibTests
 2/26 Test  #2: GmxlibTests ......................   Passed    0.56 sec
      Start  3: MdlibUnitTest
 3/26 Test  #3: MdlibUnitTest ....................   Passed    0.56 sec
      Start  4: CommandLineUnitTests
 4/26 Test  #4: CommandLineUnitTests .............   Passed    0.58 sec
      Start  5: FFTUnitTests
 5/26 Test  #5: FFTUnitTests .....................   Passed    0.63 sec
      Start  6: MathUnitTests
 6/26 Test  #6: MathUnitTests ....................   Passed    0.56 sec
      Start  7: RandomUnitTests
 7/26 Test  #7: RandomUnitTests ..................   Passed    0.56 sec
      Start  8: OnlineHelpUnitTests
 8/26 Test  #8: OnlineHelpUnitTests ..............   Passed    0.57 sec
      Start  9: OptionsUnitTests
 9/26 Test  #9: OptionsUnitTests .................   Passed    0.56 sec
      Start 10: UtilityUnitTests
10/26 Test #10: UtilityUnitTests .................   Passed    0.57 sec
      Start 11: FileIOTests
11/26 Test #11: FileIOTests ......................   Passed    0.56 sec
      Start 12: SimdUnitTests
12/26 Test #12: SimdUnitTests ....................   Passed    0.58 sec
      Start 13: LegacyToolsTests
13/26 Test #13: LegacyToolsTests .................***Failed    0.56 sec
[redacted] no hfi units are active (err=23)
[==========] Running 12 tests from 2 test cases.
[----------] Global test environment set-up.
[----------] 6 tests from NoFatalErrorWhenWritingFrom/GmxTraj
[ RUN      ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/0
Group     0 (         System) has     6 elements
Group     1 (          Water) has     6 elements
Group     2 (            SOL) has     6 elements
Select a group:
-------------------------------------------------------
Program legacy-tools-test, VERSION 5.1.4
Source code file: [redacted]/gromacs-5.1.4/src/gromacs/topology/index.cpp,
line: 917

Fatal error:
Cannot read from input
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
-------------------------------------------------------

Halting program legacy-tools-test
--------------------------------------------------------------------------
MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
with errorcode 1.

NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.
--------------------------------------------------------------------------

      Start 14: GmxPreprocessTests
14/26 Test #14: GmxPreprocessTests ...............   Passed    0.66 sec
      Start 15: CorrelationsTest
15/26 Test #15: CorrelationsTest .................   Passed    0.84 sec
      Start 16: AnalysisDataUnitTests
16/26 Test #16: AnalysisDataUnitTests ............   Passed    0.59 sec
      Start 17: SelectionUnitTests
17/26 Test #17: SelectionUnitTests ...............   Passed    0.69 sec
      Start 18: TrajectoryAnalysisUnitTests
18/26 Test #18: TrajectoryAnalysisUnitTests ......   Passed    0.89 sec
      Start 19: MdrunTests
19/26 Test #19: MdrunTests .......................   Passed    2.10 sec
      Start 20: MdrunMpiTests
20/26 Test #20: MdrunMpiTests ....................   Passed    0.96 sec
      Start 21: regressiontests/simple
21/26 Test #21: regressiontests/simple ...........   Passed   47.05 sec
      Start 22: regressiontests/complex
22/26 Test #22: regressiontests/complex ..........   Passed  149.94 sec
      Start 23: regressiontests/kernel
23/26 Test #23: regressiontests/kernel ...........   Passed  436.31 sec
      Start 24: regressiontests/freeenergy
24/26 Test #24: regressiontests/freeenergy .......   Passed   35.35 sec
      Start 25: regressiontests/pdb2gmx
25/26 Test #25: regressiontests/pdb2gmx ..........   Passed  109.15 sec
      Start 26: regressiontests/rotation
26/26 Test #26: regressiontests/rotation .........   Passed   36.78 sec

96% tests passed, 1 tests failed out of 26

Label Time Summary:
GTest                 =  10.52 sec
IntegrationTest       =   2.65 sec
MpiIntegrationTest    =   0.96 sec
UnitTest              =  10.52 sec

Total Test time (real) = 828.73 sec

The following tests FAILED:
         13 - LegacyToolsTests (Failed)
Errors while running CTest
make[3]: *** [CMakeFiles/run-ctest] Error 8
make[2]: *** [CMakeFiles/run-ctest.dir/all] Error 2
make[1]: *** [CMakeFiles/check.dir/rule] Error 2
make: *** [check] Error 2