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SelectionUnitTests failures on POWER9 with GCC 12.3

Summary

Ubuntu has an issue with GROMACS 2022.5 and GCC 12.3 on ppc64le, with multiple failures in SelectionUnitTests

https://bugs.launchpad.net/ubuntu/+source/gcc-12/+bug/2009247, buildlog_ubuntu-lunar-ppc64el.gromacs_2022.5-2_BUILDING.txt.gz

The failure persists when disabling LTO and when downgrading from -O3 to -O2.

The failure also is not seen in Debian, where this built successfully with gcc-12.

The issue can be reproduced on dev-power9 with GCC 12.3.0 built from source and recent main (c61c11f3).

Exact steps to reproduce

On dev-power9:

$ module load `/nethome/aland/modules/modulefiles/gcc/12.3.0-ppc64 cmake/3.23.1
$ cmake ../.. -DCMAKE_C_COMPILER=gcc -DCMAKE_CXX_COMPILER=g++
[...]
$ ./bin/selection-test 
[....]
[==========] 201 tests from 11 test suites ran. (314 ms total)
[  PASSED  ] 199 tests.
[  FAILED  ] 2 tests, listed below:
[  FAILED  ] SelectionCollectionDataTest.ComputesMassesAndCharges
[  FAILED  ] SelectionCollectionDataTest.HandlesOverlappingRealRanges

 2 FAILED TESTS
$ ./bin/gmx -version
[...]
GROMACS version:    2024-dev-20230712-c61c11f34b
GIT SHA1 hash:      c61c11f34b01aaf48340e98193bf9058e603572f
Precision:          mixed
Memory model:       64 bit
MPI library:        thread_mpi
OpenMP support:     enabled (GMX_OPENMP_MAX_THREADS = 128)
GPU support:        disabled
SIMD instructions:  IBM_VSX
CPU FFT library:    fftw-3.3.8
GPU FFT library:    none
Multi-GPU FFT:      none
TNG support:        enabled
Hwloc support:      disabled
Tracing support:    disabled
C compiler:         /nethome/aland/modules/gcc/12.3.0-ppc64/bin/gcc GNU 12.3.0
C compiler flags:   -Wno-array-bounds -fexcess-precision=fast -funroll-all-loops -mcpu=power9 -mtune=power9 -mvsx -Wall -Wno-unused -Wunused-value -Wunused-parameter -Wextra -Wno-sign-compare -Wpointer-arith -Wundef -Werror=stringop-truncation -Wno-missing-field-initializers -O3 -DNDEBUG
C++ compiler:       /nethome/aland/modules/gcc/12.3.0-ppc64/bin/g++ GNU 12.3.0
C++ compiler flags: -Wno-array-bounds -fexcess-precision=fast -funroll-all-loops -mcpu=power9 -mtune=power9 -mvsx -Wall -Wextra -Wpointer-arith -Wmissing-declarations -Wundef -Wstringop-truncation -Wno-missing-field-initializers -Wno-cast-function-type-strict -fopenmp -O3 -DNDEBUG
BLAS library:       
LAPACK library:

Possible fixes

Ubuntu opened a bug report for GCC.

For us, I think adding a known issue is enough.