NQCDynamics.jl
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RP-BCME Tests occasionally fail
Some tests in the test set for BCME methods occasionally fail with the error shown below.
BCME: Test Failed at /home/runner/work/NQCDynamics.jl/NQCDynamics.jl/test/Dynamics/rpbcme.jl:85
Expression: isapprox(true_value, avg[i]; atol = 5 * err[i], rtol = 0.1)
Evaluated: isapprox(0.17339235787512292, 0.014280365212307628; atol = 0.15836742286265215, rtol = 0.1)
Stacktrace:
[1] macro expansion
@ /opt/hostedtoolcache/julia/1.9.3/x64/share/julia/stdlib/v1.9/Test/src/Test.jl:478 [inlined]
[2] macro expansion
@ ~/work/NQCDynamics.jl/NQCDynamics.jl/test/Dynamics/rpbcme.jl:85 [inlined]
[3] macro expansion
@ /opt/hostedtoolcache/julia/1.9.3/x64/share/julia/stdlib/v1.9/Test/src/Test.jl:1498 [inlined]
[4] top-level scope
@ ~/work/NQCDynamics.jl/NQCDynamics.jl/test/Dynamics/rpbcme.jl:56
@Snowd1n is this related to what you mentioned about RNG yesterday?
@Alexsp32 Yes I believe so
This test has been dodgy ever since the start so nothing has changed. The only way to make it more reliable is to run more trajectories but then it takes ages. Not sure what the best solution is