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Bug #2325

Updated by Mark Abraham almost 2 years ago

With gcc 7.1 on dev-purley01 (AVX512) in double precision:

<pre>
[ RUN ] SimdFloatingpointUtilTest.transposeScatterStoreU3
../src/gromacs/simd/tests/simd_floatingpoint_util.cpp:303: Failure
Value of: mem0_[j]
Actual: 1001.0000000018564
Expected: refmem[j]
Which is: 0.10000000000000223
Difference: 1000.9 (60145924867270031 double-prec. ULPs, rel. 1e+04)
Tolerance: abs. 8.88178e-16, 4 ULPs
../src/gromacs/simd/tests/simd_floatingpoint_util.cpp:303: Failure
Value of: mem0_[j]
Actual: 1002.0000000000223
Expected: refmem[j]
Which is: 0.20000000000000445
Difference: 1001.8 (55651121332905610 double-prec. ULPs, rel. 5.01e+03)
Tolerance: abs. 8.88178e-16, 4 ULPs
../src/gromacs/simd/tests/simd_floatingpoint_util.cpp:303: Failure
Value of: mem0_[j]
Actual: 4.667261465178151e-62
Expected: refmem[j]
Which is: 1.0000000000000222
Difference: 1 (917833604050253824 double-prec. ULPs, rel. 1)
Tolerance: abs. 8.88178e-16, 4 ULPs
../src/gromacs/simd/tests/simd_floatingpoint_util.cpp:303: Failure
Value of: mem0_[j]
Actual: 1010.0000000018612
Expected: refmem[j]
Which is: 1.1000000000000245
...
</pre>

which leads various other things to fail, including the settle unit tests to segfault

<pre>
...
[----------] 24 tests from WithParameters/SettleTest
[ RUN ] WithParameters/SettleTest.SatisfiesConstraints/0

</pre>
tests.

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