From 19b26d5f145d4ccc6e60479d676a69c53d1690a6 Mon Sep 17 00:00:00 2001
From: Ye Luo <yeluo@anl.gov>
Date: Wed, 25 May 2022 19:01:57 -0500
Subject: [PATCH] Reduce NVHPC warning.

---
 src/Estimators/InputSection.h                    |  3 +--
 src/Numerics/SoaCartesianTensor.h                |  5 ++---
 src/Particle/DistanceTable.h                     | 16 ++++++++--------
 src/QMCDrivers/SFNBranch.cpp                     |  9 ++++-----
 src/QMCHamiltonians/SOECPComponent.cpp           |  8 --------
 src/QMCHamiltonians/SkPot.cpp                    |  1 -
 src/QMCHamiltonians/SkPot.h                      |  5 +++--
 .../Fermion/DiracDeterminantWithBackflow.h       |  3 +--
 .../Fermion/MultiDiracDeterminant.2.cpp          |  2 +-
 .../Fermion/SlaterDetBuilder.cpp                 |  2 +-
 .../Fermion/SmallMatrixDetCalculator.h           |  1 -
 src/QMCWaveFunctions/SPOSet.cpp                  |  1 -
 src/QMCWaveFunctions/SPOSet.h                    |  2 +-
 13 files changed, 22 insertions(+), 36 deletions(-)

diff --git a/src/Estimators/InputSection.h b/src/Estimators/InputSection.h
index 3903a1a428..f6c7c3a162 100644
--- a/src/Estimators/InputSection.h
+++ b/src/Estimators/InputSection.h
@@ -152,10 +152,9 @@ class InputSection
    *
    *  can't be bothered then just define your enum option as a string.
    */
-  virtual std::any assignAnyEnum(const std::string& tag) const
+  [[noreturn]] virtual std::any assignAnyEnum(const std::string& tag) const
   {
     throw std::runtime_error("derived class must provide assignAnyEnum method if enum parameters are used");
-    return std::any();
   }
 
   /** Assign any enum helper for InputSection derived class
diff --git a/src/Numerics/SoaCartesianTensor.h b/src/Numerics/SoaCartesianTensor.h
index ba4880e997..21fa7f52bf 100644
--- a/src/Numerics/SoaCartesianTensor.h
+++ b/src/Numerics/SoaCartesianTensor.h
@@ -105,8 +105,8 @@ struct SoaCartesianTensor
 template<class T>
 SoaCartesianTensor<T>::SoaCartesianTensor(const int l_max, bool addsign) : Lmax(l_max)
 {
-  if (Lmax < 0 || Lmax > 6)
-    throw std::runtime_error("CartesianTensor can't handle Lmax > 6 or Lmax < 0.\n");
+  if (Lmax > 6)
+    throw std::runtime_error("CartesianTensor can't handle Lmax > 6.\n");
 
   int ntot = 0;
   for (int i = 0; i <= Lmax; i++)
@@ -2292,7 +2292,6 @@ void SoaCartesianTensor<T>::getABC(int n, int& a, int& b, int& c)
 
   default:
     throw std::runtime_error("CartesianTensor::getABC() - Incorrect index.\n");
-    break;
   }
 }
 
diff --git a/src/Particle/DistanceTable.h b/src/Particle/DistanceTable.h
index 47f3b86ec8..c1fa5b07ac 100644
--- a/src/Particle/DistanceTable.h
+++ b/src/Particle/DistanceTable.h
@@ -143,7 +143,7 @@ class DistanceTable
                        const RefVectorWithLeader<ParticleSet>& p_list,
                        const std::vector<PosType>& rnew_list,
                        const IndexType iat,
-                       bool prepare_old    = true) const
+                       bool prepare_old = true) const
   {
 #pragma omp parallel for
     for (int iw = 0; iw < dt_list.size(); iw++)
@@ -207,7 +207,10 @@ class DistanceTable
    */
   virtual int get_first_neighbor(IndexType iat, RealType& r, PosType& dr, bool newpos) const = 0;
 
-  inline void print(std::ostream& os) { throw std::runtime_error("DistanceTable::print is not supported"); }
+  [[noreturn]] inline void print(std::ostream& os)
+  {
+    throw std::runtime_error("DistanceTable::print is not supported");
+  }
 
   /// initialize a shared resource and hand it to a collection
   virtual void createResource(ResourceCollection& collection) const {}
@@ -292,10 +295,9 @@ class DistanceTableAA : public DistanceTable
   virtual size_t get_num_particls_stored() const { return 0; }
 
   /// return multi walker temporary pair distance table data pointer
-  virtual const RealType* getMultiWalkerTempDataPtr() const
+  [[noreturn]] virtual const RealType* getMultiWalkerTempDataPtr() const
   {
     throw std::runtime_error(name_ + " multi walker data pointer for temp not supported");
-    return nullptr;
   }
 
   virtual const RealType* mw_evalDistsInRange(const RefVectorWithLeader<DistanceTable>& dt_list,
@@ -358,17 +360,15 @@ class DistanceTableAB : public DistanceTable
   const DisplRow& getTempDispls() const { return temp_dr_; }
 
   /// return multi-walker full (all pairs) distance table data pointer
-  virtual const RealType* getMultiWalkerDataPtr() const
+  [[noreturn]] virtual const RealType* getMultiWalkerDataPtr() const
   {
     throw std::runtime_error(name_ + " multi walker data pointer not supported");
-    return nullptr;
   }
 
   /// return stride of per target pctl data. full table data = stride * num of target particles
-  virtual size_t getPerTargetPctlStrideSize() const
+  [[noreturn]] virtual size_t getPerTargetPctlStrideSize() const
   {
     throw std::runtime_error(name_ + " getPerTargetPctlStrideSize not supported");
-    return 0;
   }
 };
 } // namespace qmcplusplus
diff --git a/src/QMCDrivers/SFNBranch.cpp b/src/QMCDrivers/SFNBranch.cpp
index f5eddc5bdd..2c10d21530 100644
--- a/src/QMCDrivers/SFNBranch.cpp
+++ b/src/QMCDrivers/SFNBranch.cpp
@@ -106,7 +106,8 @@ int SFNBranch::initParam(const MCPopulation& population,
   vParam[SBVP::SIGMA2] = var;
   vParam[SBVP::TAUEFF] = vParam[SBVP::TAU] * R2Accepted.result() / R2Proposed.result();
   /// FIXME, magic number 50
-  setBranchCutoff(vParam[SBVP::SIGMA2], vParam[SBVP::SIGMA_BOUND], 50, population.get_golden_electrons()->getTotalNum());
+  setBranchCutoff(vParam[SBVP::SIGMA2], vParam[SBVP::SIGMA_BOUND], 50,
+                  population.get_golden_electrons()->getTotalNum());
 
   int nwtot_now = population.get_num_global_walkers();
   if (iParam[B_TARGETWALKERS] == 0)
@@ -168,8 +169,7 @@ void SFNBranch::updateParamAfterPopControl(int pop_int, const MCDataType<FullPre
     else
     {
       throw UniformCommunicateError("Bug: FIXME SBVP::EREF should be calculated based on weights");
-      /// FIXME
-      vParam[SBVP::ETRIAL] = vParam[SBVP::EREF];
+      /// FIXME vParam[SBVP::ETRIAL] = vParam[SBVP::EREF];
     }
   }
   else //warmup
@@ -190,8 +190,7 @@ void SFNBranch::updateParamAfterPopControl(int pop_int, const MCDataType<FullPre
     else
     {
       throw UniformCommunicateError("Bug: FIXME SBVP::EREF should be calculated based on weights");
-      /// FIXME
-      vParam[SBVP::ETRIAL] = vParam[SBVP::ENOW];
+      /// FIXME vParam[SBVP::ETRIAL] = vParam[SBVP::ENOW];
     }
 
     --WarmUpToDoSteps;
diff --git a/src/QMCHamiltonians/SOECPComponent.cpp b/src/QMCHamiltonians/SOECPComponent.cpp
index 04e244aa98..f25f2f1a65 100644
--- a/src/QMCHamiltonians/SOECPComponent.cpp
+++ b/src/QMCHamiltonians/SOECPComponent.cpp
@@ -64,17 +64,13 @@ SOECPComponent::ComplexType SOECPComponent::sMatrixElements(RealType s1, RealTyp
   {
   case 0:
     return ComplexType(std::cos(s1 + s2), 0.0);
-    break;
   case 1:
     return ComplexType(std::sin(s1 + s2), 0.0);
-    break;
   case 2:
     return ComplexType(0.0, std::sin(s1 - s2));
-    break;
   default:
     APP_ABORT("SOECPComponent::sMatrixElements invalid operator dimension\n");
     return 0;
-    break;
   }
 }
 
@@ -91,22 +87,18 @@ SOECPComponent::ComplexType SOECPComponent::lmMatrixElements(int l, int m1, int
                         std::sqrt(l * (l + 1) - m2 * (m2 - 1)) * kroneckerDelta(m1, m2 - 1),
                     zero);
     return val;
-    break;
   case 1:
     val = onehalf *
         ComplexType(0.0,
                     std::sqrt(l * (l + 1) - m2 * (m2 - 1)) * kroneckerDelta(m1, m2 - 1) -
                         std::sqrt(l * (l + 1) - m2 * (m2 + 1)) * kroneckerDelta(m1, m2 + 1));
     return val;
-    break;
   case 2:
     val = ComplexType(m2 * kroneckerDelta(m1, m2), zero);
     return val;
-    break;
   default:
     APP_ABORT("SOECPComponent::lMatrixElements Invalid operator dimension\n");
     return 0;
-    break;
   }
 }
 
diff --git a/src/QMCHamiltonians/SkPot.cpp b/src/QMCHamiltonians/SkPot.cpp
index 89a8ec0ff0..5cc6055290 100644
--- a/src/QMCHamiltonians/SkPot.cpp
+++ b/src/QMCHamiltonians/SkPot.cpp
@@ -43,7 +43,6 @@ SkPot::Return_t SkPot::evaluate(ParticleSet& P)
 {
   throw std::runtime_error("SkPot::evaluate not implemented. There was an implementation with"
                            " complex-valued storage that may be resurrected using real-valued storage.");
-  return value_;
 }
 
 bool SkPot::put(xmlNodePtr cur)
diff --git a/src/QMCHamiltonians/SkPot.h b/src/QMCHamiltonians/SkPot.h
index 5a9ea6f2cb..60d91e72fe 100644
--- a/src/QMCHamiltonians/SkPot.h
+++ b/src/QMCHamiltonians/SkPot.h
@@ -31,7 +31,7 @@ class SkPot : public OperatorBase
 
   void resetTargetParticleSet(ParticleSet& P) override;
 
-  Return_t evaluate(ParticleSet& P) override;
+  [[noreturn]] Return_t evaluate(ParticleSet& P) override;
 
   bool put(xmlNodePtr cur) override;
   bool get(std::ostream& os) const override;
@@ -41,7 +41,8 @@ class SkPot : public OperatorBase
   {
     for (int ki = 0; ki < NumK; ki++)
     {
-      RealType k = dot(sourcePtcl->getSimulationCell().getKLists().kpts_cart[ki], sourcePtcl->getSimulationCell().getKLists().kpts_cart[ki]);
+      RealType k = dot(sourcePtcl->getSimulationCell().getKLists().kpts_cart[ki],
+                       sourcePtcl->getSimulationCell().getKLists().kpts_cart[ki]);
       k          = std::sqrt(k) - K_0;
       Fk[ki]     = OneOverN * V_0 * std::exp(-k * k);
       //         app_log()<<ki<<": "<<Fk[ki] << std::endl;
diff --git a/src/QMCWaveFunctions/Fermion/DiracDeterminantWithBackflow.h b/src/QMCWaveFunctions/Fermion/DiracDeterminantWithBackflow.h
index f435e715b8..45d79d2c83 100644
--- a/src/QMCWaveFunctions/Fermion/DiracDeterminantWithBackflow.h
+++ b/src/QMCWaveFunctions/Fermion/DiracDeterminantWithBackflow.h
@@ -127,10 +127,9 @@ class DiracDeterminantWithBackflow : public DiracDeterminantBase
    */
   std::unique_ptr<DiracDeterminantWithBackflow> makeCopyWithBF(std::unique_ptr<SPOSet>&& spo,
                                                                BackflowTransformation& BF) const;
-  std::unique_ptr<DiracDeterminantBase> makeCopy(std::unique_ptr<SPOSet>&& spo) const override
+  [[noreturn]] std::unique_ptr<DiracDeterminantBase> makeCopy(std::unique_ptr<SPOSet>&& spo) const override
   {
     throw std::runtime_error("makeCopy spo should not be called.");
-    return nullptr;
   }
 
   void testDerivFjj(ParticleSet& P, int pa);
diff --git a/src/QMCWaveFunctions/Fermion/MultiDiracDeterminant.2.cpp b/src/QMCWaveFunctions/Fermion/MultiDiracDeterminant.2.cpp
index 8949ec64b2..0fa9259dc1 100644
--- a/src/QMCWaveFunctions/Fermion/MultiDiracDeterminant.2.cpp
+++ b/src/QMCWaveFunctions/Fermion/MultiDiracDeterminant.2.cpp
@@ -779,7 +779,7 @@ void MultiDiracDeterminant::mw_evaluateDetsAndGradsForPtclMove(
     for (size_t iw = 0; iw < nw; iw++)
     {
       GradType ratioGradRef_local(0);
-      PRAGMA_OFFLOAD("omp parallel for reduction(+ : ratioGradRef_local)")
+      //PRAGMA_OFFLOAD("omp parallel for reduction(+ : ratioGradRef_local)")
       for (size_t i = 0; i < NumPtcls; i++)
       {
         const size_t J            = confgListOccup_ptr[i];
diff --git a/src/QMCWaveFunctions/Fermion/SlaterDetBuilder.cpp b/src/QMCWaveFunctions/Fermion/SlaterDetBuilder.cpp
index d9e8506176..e7acde7df6 100644
--- a/src/QMCWaveFunctions/Fermion/SlaterDetBuilder.cpp
+++ b/src/QMCWaveFunctions/Fermion/SlaterDetBuilder.cpp
@@ -867,7 +867,7 @@ bool SlaterDetBuilder::readDetList(xmlNodePtr cur,
       for (size_t i = 0; i < confgLists[grp].size(); i++)
       {
         bool found = false;
-        size_t k   = -1;
+        int k      = -1;
         for (size_t j = 0; j < uniqueConfgs[grp].size(); j++)
         {
           if (confgLists[grp][i] == uniqueConfgs[grp][j])
diff --git a/src/QMCWaveFunctions/Fermion/SmallMatrixDetCalculator.h b/src/QMCWaveFunctions/Fermion/SmallMatrixDetCalculator.h
index 736ec354f3..6d2e564a39 100644
--- a/src/QMCWaveFunctions/Fermion/SmallMatrixDetCalculator.h
+++ b/src/QMCWaveFunctions/Fermion/SmallMatrixDetCalculator.h
@@ -296,7 +296,6 @@ inline VALUE calcSmallDeterminant(size_t n, const VALUE* table_matrix, const int
   default:
     throw std::runtime_error("calculateSmallDeterminant only handles the number of excitations <= 5.");
   }
-  return 0.0;
 }
 
 
diff --git a/src/QMCWaveFunctions/SPOSet.cpp b/src/QMCWaveFunctions/SPOSet.cpp
index 693ce63ed3..88292d3a97 100644
--- a/src/QMCWaveFunctions/SPOSet.cpp
+++ b/src/QMCWaveFunctions/SPOSet.cpp
@@ -188,7 +188,6 @@ void SPOSet::evaluate_notranspose(const ParticleSet& P,
 std::unique_ptr<SPOSet> SPOSet::makeClone() const
 {
   throw std::runtime_error("Missing  SPOSet::makeClone for " + className);
-  return std::unique_ptr<SPOSet>();
 }
 
 void SPOSet::basic_report(const std::string& pad) const
diff --git a/src/QMCWaveFunctions/SPOSet.h b/src/QMCWaveFunctions/SPOSet.h
index d73cb53451..bc031a4591 100644
--- a/src/QMCWaveFunctions/SPOSet.h
+++ b/src/QMCWaveFunctions/SPOSet.h
@@ -489,7 +489,7 @@ class SPOSet : public QMCTraits
   /** make a clone of itself
    * every derived class must implement this to have threading working correctly.
    */
-  virtual std::unique_ptr<SPOSet> makeClone() const;
+  [[noreturn]] virtual std::unique_ptr<SPOSet> makeClone() const;
 
   /** Used only by cusp correction in AOS LCAO.
    * Ye: the SoA LCAO moves all this responsibility to the builder.