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Fix multifluid mole-fraction derivative initialization for GCC15 (#4070) #4072

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Fix multifluid mole-fraction derivative initialization for GCC15 (#4070) #4072

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8ef446d
Fix multifluid mole-fraction derivative initialization for GCC15 (#4070)
liyangrock Jun 1, 2026
4768a94
Fix molality calculation in MultiFluidBase.hpp
dkachuma Jun 1, 2026
f036925
Fix calculation of component mole fraction
dkachuma Jun 1, 2026
5a9b657
Merge branch 'develop' into liyangrock/gcc15-maybe-uninitialized-mult…
dkachuma Jun 4, 2026
07a4ec7
Change
dkachuma Jun 5, 2026
966993d
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dkachuma Jun 5, 2026
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9 changes: 4 additions & 5 deletions src/coreComponents/constitutive/fluid/multifluid/MultiFluidBase.hpp
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Original file line number Diff line number Diff line change
Expand Up @@ -775,9 +775,7 @@ MultiFluidBase::KernelWrapper::
for( integer ic = 0; ic < numComps; ++ic )
{
// component weight can not be zero, checked in MultiFluidBase::postInputInitialization
real64 const mwInv = 1.0 / m_componentMolarWeight[ic];
compMoleFrac[ic] = composition[ic] * mwInv; // this is molality (units of mole/mass)
dCompMoleFrac_dCompMassFrac[ic][ic] = mwInv;
compMoleFrac[ic] = composition[ic] / m_componentMolarWeight[ic]; // this is molality (units of mole/mass)
totalMolality += compMoleFrac[ic];
}

Expand All @@ -788,8 +786,9 @@ MultiFluidBase::KernelWrapper::

for( integer jc = 0; jc < numComps; ++jc )
{
dCompMoleFrac_dCompMassFrac[ic][jc] -= compMoleFrac[ic] / m_componentMolarWeight[jc];
dCompMoleFrac_dCompMassFrac[ic][jc] *= totalMolalityInv;
real64 const delta = ic == jc ? 1.0 : 0.0;
dCompMoleFrac_dCompMassFrac[ic][jc] =
( delta - compMoleFrac[ic] ) * totalMolalityInv / m_componentMolarWeight[jc];
}
}
}
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4 changes: 2 additions & 2 deletions src/coreComponents/schema/schema.xsd.other
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Expand Up @@ -526,7 +526,7 @@ A field can represent a physical variable. (pressure, temperature, global compos
<!--fractureStencil => (no description available)-->
<xsd:attribute name="fractureStencil" type="geos_SurfaceElementStencil" />
<!--targetRegions => List of regions to build the stencil for-->
<xsd:attribute name="targetRegions" type="geos_mapBase_lt_string_cm_-geos_internal_StdVectorWrapper_lt_string_cm_-std_allocator_lt_string-_gt__cm_-true_gt__cm_-std_integral_constant_lt_bool_cm_-true_gt_-_gt_" />
<xsd:attribute name="targetRegions" type="geos_mapBase_lt_string_cm_-geos_internal_StdVectorWrapper_lt_string_cm_-std_allocator_lt_string-_gt__cm_-false_gt__cm_-std_integral_constant_lt_bool_cm_-true_gt_-_gt_" />
</xsd:complexType>
<xsd:complexType name="OutputsType">
<xsd:choice minOccurs="0" maxOccurs="unbounded">
Expand Down Expand Up @@ -1603,7 +1603,7 @@ A field can represent a physical variable. (pressure, temperature, global compos
<xsd:element name="MeshBodies" type="MeshBodiesType" />
</xsd:choice>
<!--Neighbors => (no description available)-->
<xsd:attribute name="Neighbors" type="geos_internal_StdVectorWrapper_lt_geos_NeighborCommunicator_cm_-std_allocator_lt_geos_NeighborCommunicator_gt__cm_-true_gt_" />
<xsd:attribute name="Neighbors" type="geos_internal_StdVectorWrapper_lt_geos_NeighborCommunicator_cm_-std_allocator_lt_geos_NeighborCommunicator_gt__cm_-false_gt_" />
<!--partitionManager => (no description available)-->
<xsd:attribute name="partitionManager" type="geos_PartitionBase" />
</xsd:complexType>
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