Merge branch 'main' of github.com:lanl/singularity-eos into jhp/DavisEOS

CHANGELOG.md

@@ -20,6 +20,7 @@
 - [[PR335]](https://github.com/lanl/singularity-eos/pull/335) Fix missing hermite.hpp in CMake install required for Helmholtz EOS
 - [[PR356]](https://github.com/lanl/singularity-eos/pull/356) Guard against FPEs in the PTE solver
 - [[PR356]](https://github.com/lanl/singularity-eos/pull/356) Update CMake for proper Kokkos linking in Fortran interface
+- [[PR373]](https://github.com/lanl/singularity-eos/pull/373) Initialize cache in `get_sg_eos*` functions
 
 ### Changed (changing behavior/API/variables/...)
 - [[PR363]](https://github.com/lanl/singularity-eos/pull/363) Template lambda values for scalar calls

doc/sphinx/src/models.rst

@@ -11,8 +11,6 @@
 
 .. _DavisReactants: https://doi.org/10.1016/S0010-2180(99)00112-1
 
-.. _DavisProducts: https://doi.org/10.1063/1.2035310
-
 .. _ProbingOffHugoniotStates: https://doi.org/10.1063/1.4939675
 
 .. _WillsThermo: https://www.osti.gov/biblio/1561015
@@ -1196,11 +1194,10 @@ Davis Products EOS
 .. warning::
     Entropy is not yet available for this EOS
 
-The `Davis products EOS <DavisProducts_>`_ is created from the reference
-isentrope passing through the CJ state of the high explosive along with a
-constant heat capacity. The constant heat capacity leads to the energy being a
-simple funciton of the temperature deviation from the reference isentrope such
-that
+The Davis products EOS is created from the reference isentrope passing through
+the CJ state of the high explosive along with a constant heat capacity. The
+constant heat capacity leads to the energy being a simple funciton of the
+temperature deviation from the reference isentrope such that
 
 .. math::
     

singularity-eos/closure/mixed_cell_models.hpp

@@ -182,6 +182,7 @@ class PTESolverBase {
   void Finalize() {
     for (int m = 0; m < nmat; m++) {
       temp[m] *= Tnorm;
+      PORTABLE_REQUIRE(temp[m] >= 0., "Non-positive temperature returned");
       u[m] *= uscale;
       press[m] *= uscale;
     }

singularity-eos/eos/eos_davis.hpp

@@ -292,7 +292,6 @@ class DavisProducts : public EosBase<DavisProducts> {
   inline void Finalize() {}
   static std::string EosType() { return std::string("DavisProducts"); }
   static std::string EosPyType() { return EosType(); }
-  // TODO (JHP): Create helper function to find the CJ state given the reference state
 
  private:
   static constexpr Real onethird = 1.0 / 3.0;

singularity-eos/eos/get_sg_eos_p_t.cpp

@@ -39,6 +39,10 @@ void get_sg_eos_p_t(const char *name, int ncell, int nmat, indirection_v &offset
         // for small loops
         const int32_t token{tokens.acquire()};
         const int32_t tid{small_loop ? iloop : token};
+        // need to initialize the scratch before it's used to avoid undefined behavior
+        for (int idx = 0; idx < solver_scratch.extent(1); ++idx) {
+          solver_scratch(tid, idx) = 0.0;
+        }
         // caching mechanism
         singularity::mix_impl::CacheAccessor cache(&solver_scratch(tid, 0));
         double mass_sum{0.0};

singularity-eos/eos/get_sg_eos_rho_e.cpp

@@ -39,6 +39,10 @@ void get_sg_eos_rho_e(const char *name, int ncell, indirection_v &offsets_v,
         int npte{0};
         // initialize values for solver / lookup
         i_func(i, tid, mass_sum, npte, 0.0, 1.0, 0.0);
+        // need to initialize the scratch before it's used to avoid undefined behavior
+        for (int idx = 0; idx < solver_scratch.extent(1); ++idx) {
+          solver_scratch(tid, idx) = 0.0;
+        }
         // get cache from offsets into scratch
         const int neq = npte + 1;
         singularity::mix_impl::CacheAccessor cache(&solver_scratch(tid, 0) +

singularity-eos/eos/get_sg_eos_rho_p.cpp

@@ -41,6 +41,10 @@ void get_sg_eos_rho_p(const char *name, int ncell, indirection_v &offsets_v,
         // initialize values for solver / lookup
         i_func(i, tid, mass_sum, npte, 0.0, 0.0, 1.0);
         Real sie_tot_true{0.0};
+        // need to initialize the scratch before it's used to avoid undefined behavior
+        for (int idx = 0; idx < solver_scratch.extent(1); ++idx) {
+          solver_scratch(tid, idx) = 0.0;
+        }
         const int neq = npte + 1;
         singularity::mix_impl::CacheAccessor cache(&solver_scratch(tid, 0) +
                                                    neq * (neq + 4) + 2 * npte);

singularity-eos/eos/get_sg_eos_rho_t.cpp

@@ -42,6 +42,10 @@ void get_sg_eos_rho_t(const char *name, int ncell, indirection_v &offsets_v,
         i_func(i, tid, mass_sum, npte, 1.0, 0.0, 0.0);
         // calculate pte condition (lookup for 1 mat cell)
         Real sie_tot_true{0.0};
+        // need to initialize the scratch before it's used to avoid undefined behavior
+        for (int idx = 0; idx < solver_scratch.extent(1); ++idx) {
+          solver_scratch(tid, idx) = 0.0;
+        }
         const int neq = npte;
         singularity::mix_impl::CacheAccessor cache(&solver_scratch(tid, 0) +
                                                    neq * (neq + 4) + 2 * npte);