Make sure that DensityEnergyFromPressureTemperature works for all equations of state #449

Yurlungur · 2024-12-24T23:20:49Z

PR Summary

The easiest way to get the Jacobian for the PT-space PTE solver we are building is to ensure that the DensityEnergyFromPressureTemperature call works consistently for all equations of state. This MR makes sure thats the case and threads this call through all the tests.

To ease this process, I added a base class implementation. However, I think most classes will want their own implementations, and I added them when appropriate.

PR Checklist

Adds a test for any bugs fixed. Adds tests for new features.
Format your changes by using the make format command after configuring with cmake.
Document any new features, update documentation for changes made.
Make sure the copyright notice on any files you modified is up to date.
After creating a pull request, note it in the CHANGELOG.md file.
LANL employees: make sure tests pass both on the github CI and on the Darwin CI

If preparing for a new release, in addition please check the following:

Update the version in cmake.
Move the changes in the CHANGELOG.md file under a new header for the new release, and reset the categories.
Ensure that any when='@main' dependencies are updated to the release version in the package.py

… thats the issue

Yurlungur · 2024-12-25T00:14:59Z

.github/workflows/tests_minimal.yml

@@ -36,4 +36,4 @@ jobs:
                  ..
            make -j4
            make install
-            make test
+            ctest --output-on-failure


I think I'd like to leave this permanently. You still get a summary out at the end, but here we can see what went wrong with a test. Useful for debugging, especially when the CI machine and your laptop disagree...

Yurlungur · 2024-12-25T00:16:00Z

singularity-eos/eos/eos_base.hpp

+  // JMM: This method is often going to be overloaded for special cases.
+  template <typename Indexer_t = Real *>
+  PORTABLE_INLINE_FUNCTION void
+  DensityEnergyFromPressureTemperature(const Real press, const Real temp,
+                                       Indexer_t &&lambda, Real &rho, Real &sie) const {


This default implementation is usually not optimal but does seem to work if a given EOS doesn't need special cases. In general, though, an EOS should overload and implement its own.

Yurlungur · 2024-12-25T00:17:28Z

singularity-eos/eos/eos_base.hpp

+    // JMM: This needs to not fail and instead return something sane
+    if (status != Status::SUCCESS) {
+      PORTABLE_WARN("DensityEnergyFromPressureTemperature failed to find root\n");
+      rho = rhoguess;
+    }


This is a function that may be passed data and I see it as similar to a PTE solve. Even if it fails out, something reasonable must be done.

Yurlungur · 2024-12-25T00:18:16Z

singularity-eos/eos/eos_helmholtz.hpp

+    rho = 1e7;
+    temp = 1.5e9;


Conditions for an oxygen burning shell in a stellar core.

Yurlungur · 2024-12-25T00:19:24Z

singularity-eos/eos/eos_mgusup.hpp

+  PORTABLE_FORCEINLINE_FUNCTION
+  Real MaximumDensity() const {
+    if (_s > 1) {
+      return 0.99 * robust::ratio(_s * _rho0, _s - 1);
+    } else { // for s <= 1, no maximum, but we need to pick something.
+      return 1e3 * _rho0;
+    }
+  }


These are the conditions where the reference isotherm is a positive temperature.

Yurlungur · 2024-12-25T00:19:59Z

singularity-eos/eos/eos_mgusup.hpp

+  PORTABLE_FORCEINLINE_FUNCTION
+  Real MinimumDensity() const { return 10 * robust::EPS(); }


Since the reference isotherm scales as _rho0/rho, the EOS diverges at zero density. This bounds it at least to some degree.

Yurlungur · 2024-12-25T00:21:58Z

singularity-eos/eos/eos_stellar_collapse.hpp

+  auto lPofRT = [&](Real lR) { return lP_.interpToReal(Ye, lT, lR); };
+  auto status = regula_falsi(lPofRT, lP, lrguess, lRhoMin_, lRhoMax_, ROOT_THRESH,
+                             ROOT_THRESH, lrguess);


Since the EOS is tabulated in logrho, use logrho for the root find.

Yurlungur · 2024-12-25T00:23:08Z

singularity-eos/eos/eos_vinet.hpp

@@ -131,6 +131,10 @@ class Vinet : public EosBase<Vinet> {
  ValuesAtReferenceState(Real &rho, Real &temp, Real &sie, Real &press, Real &cv,
                         Real &bmod, Real &dpde, Real &dvdt,
                         Indexer_t &&lambda = static_cast<Real *>(nullptr)) const;
+
+  PORTABLE_FORCEINLINE_FUNCTION
+  Real MinimumDensity() const { return std::cbrt(10 * robust::EPS()) * _rho0; }


EOS depends on $\left(\frac{\rho_0}{\rho}\right)^{1/3}$ so a reasonable bound before the EOS will become ill behaved is this.

Yurlungur · 2024-12-25T00:23:31Z

singularity-eos/eos/eos_vinet.hpp

-  // Density/Energy from P/T not unique, if used will give error
-  template <typename Indexer_t = Real *>
-  PORTABLE_INLINE_FUNCTION void
-  DensityEnergyFromPressureTemperature(const Real press, const Real temp,
-                                       Indexer_t &&lambda, Real &rho, Real &sie) const;


use the default in the base class

Yurlungur · 2024-12-25T00:24:22Z

test/eos_unit_test_helpers.hpp

+template <typename EOS, typename Indexer_t = Real *>
+PORTABLE_INLINE_FUNCTION bool
+CheckRhoSieFromPT(EOS eos, Real rho, Real T,
+                  Indexer_t &&lambda = static_cast<Real *>(nullptr)) {


Convenience function to let me test the functionality more easily

Yurlungur · 2024-12-25T00:34:02Z

Ok that was finicky but tests on github now seem to be passing. re-git tests appear to be having some network issues. Ping @rbberger for after the holidays. :)

jonahm-LANL added 6 commits December 23, 2024 12:28

add RhoE of PT to base class and implement where relevant

4a210b5

formatting

50c08e7

Tests pass on macbook. Still need to add a few tests

acd9def

swap default to findRoot because it respects bounds

608a772

tests complete for everything except eospac and spiner

0bdead9

update zsplit

0a4b61a

Yurlungur added bug Something isn't working enhancement New feature or request Testing Additions/changes to the testing infrastruture Robustness Ensures that existing features work as intended labels Dec 24, 2024

Yurlungur requested review from dholladay00, chadmeyer and jhp-lanl December 24, 2024 23:20

Yurlungur self-assigned this Dec 24, 2024

changelog

f1d1fc4

Yurlungur mentioned this pull request Dec 24, 2024

regula_falsi solver does not respect regions of validity #450

Open

jonahm-LANL added 9 commits December 24, 2024 16:24

missing auto

c5f75a5

it works on my machine...

838b720

output on failure please

365dd65

just change tests to output-on-failure... and also loosen EPS in case…

376223f

… thats the issue

lets try this...

9b083fa

make default implementation more robust maybe I hope

c3182ff

put default rho gues close to STP

1034b38

put default rho gues close to STP

d6e80ee

re-tighten bounds after initial guess problem resolved

5f79307

Yurlungur commented Dec 25, 2024

View reviewed changes

oops missing boolean not

0e61f98

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Make sure that DensityEnergyFromPressureTemperature works for all equations of state #449

Make sure that DensityEnergyFromPressureTemperature works for all equations of state #449

Yurlungur commented Dec 24, 2024 •

edited

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Yurlungur commented Dec 25, 2024

		PORTABLE_FORCEINLINE_FUNCTION
		Real MinimumDensity() const { return 10 * robust::EPS(); }

Make sure that DensityEnergyFromPressureTemperature works for all equations of state #449

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Make sure that DensityEnergyFromPressureTemperature works for all equations of state #449

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Yurlungur commented Dec 24, 2024 • edited Loading

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Yurlungur commented Dec 25, 2024

Yurlungur commented Dec 24, 2024 •

edited

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