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Regression for overconstrained equilibrium on Intel CI #1473

@ischoegl

Description

@ischoegl

Problem description

There's a new failure for CI runs on Intel oneAPI

*********************************** Testing Summary ************************************
FAILED: One or more tests failed.

Tests passed: 5218
Up-to-date tests skipped: 0
scons: *** [test_results] Explicit exit, status 1
Tests failed: 1

Failed tests:
    - python: test_equilibrium.ChemEquilTest.test_equil_overconstrained2

****************************************************************************************

The relevant error stack is:

__________________ ChemEquilTest.test_equil_overconstrained2 ___________________

self = <python.test_equilibrium.ChemEquilTest testMethod=test_equil_overconstrained2>

    def test_equil_overconstrained2(self):
        gas = ct.Solution("equilibrium.yaml", "overconstrained-2")
        gas.TPX = 301, 100000, 'CH4:1.0, O2:1.0'
>       gas.equilibrate('TP', self.solver)

test/python/test_equilibrium.py:70: 
_ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ 

>   self.thermo.equilibrate(stringify(XY.upper()), stringify(solver), rtol,
E   cantera._utils.CanteraError: 
E   *******************************************************************************
E   CanteraError thrown by solve(DenseMatrix& A, double* b):
E   DGETRF returned INFO = 2. U(i,i) is exactly zero. The factorization has been completed, but the factor U is exactly singular, and division by zero will occur if it is used to solve a system of equations.
E   *******************************************************************************

build/python/cantera/thermo.pyx:438: CanteraError`

Steps to reproduce

Occurs on any recent CI run where the intel toolchain is successfully downloaded.

Behavior

System information

  • Cantera version: current main
  • OS: ubuntu / GH Action linux-intel-oneapi
  • Python/MATLAB/other software versions: Python 3.8

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