Revert "Merge pull request #54 from EXP-code/CTests"

This reverts commit d378c9a, reversing
changes made to 18bcb38.

It seems that main crept too far ahead of the CTest for a successful
merge.  I'll have to sort out the CTest mess later.

coefs/BasisFactory.H

@@ -13,7 +13,6 @@
 #include <YamlCheck.H>
 #include <BiorthCyl.H>
 #include <EmpCylSL.H>
-#include <exputils.H>
 #include <localmpi.H>
 
 namespace Field
@@ -370,22 +369,13 @@ namespace BasisClasses
     BasisArray getBasis
     (double logxmin=-3.0, double logxmax=0.5, int numgrid=2000);
 
-    //! Compute the orthogonality of the basis by returning
-    //! inner-product matrices
-    std::vector<Eigen::MatrixXd> orthoCheck(int knots=100)
+    //! Compute the orthogonality of the basis by returning inner
+    //! produce matrices
+    std::vector<Eigen::MatrixXd> orthoCheck(int knots=40)
     {
       return sl->orthoCheck(knots);
     }
 
-    //! Biorthogonality sanity check
-    bool orthoTest(int knots=100)
-    {
-      auto [ret, worst, lworst] = orthoCompute(sl->orthoCheck(knots));
-      // For the CTest log
-      std::cout << "SphericalSL::orthoTest: worst=" << worst << std::endl;
-      return ret;
-    }
-
   };
 
   /**
@@ -514,19 +504,10 @@ namespace BasisClasses
     BasisArray getBasis
     (double logxmin=-3.0, double logxmax=0.5, int numgrid=2000);
 
-    //! Compute the orthogonality of the basis by returning
-    //! inner-product matrices
+    //! Compute the orthogonality of the basis by returning inner
+    //! produce matrices
     std::vector<Eigen::MatrixXd> orthoCheck();
 
-    //! Biorthogonality sanity check
-    bool orthoTest()
-    {
-      auto [ret, worst, lworst] = orthoCompute(orthoCheck());
-      // For the CTest log
-      std::cout << "FlatDisk::orthoTest: worst=" << worst << std::endl;
-      return ret;
-    }
-
   };
 
   /**
@@ -674,22 +655,12 @@ namespace BasisClasses
     (double xmin=0.0, double xmax=1.0, int numr=40,
      double zmin=-0.1, double zmax=0.1, int numz=40);
 
-    //! Compute the orthogonality of the basis by returning
-    //! inner-product matrices
+    //! Compute the orthogonality of the basis by returning inner
+    //! produce matrices
     std::vector<Eigen::MatrixXd> orthoCheck()
     {
       return sl->orthoCheck();
     }
-
-    //! Biorthogonality sanity check
-    bool orthoTest()
-    {
-      auto [ret, worst, lworst] = orthoCompute(sl->orthoCheck());
-      // For the CTest log
-      std::cout << "Cylindrical::orthoTest: worst=" << worst << std::endl;
-      return ret;
-    }
-
   };
 
   /**

coefs/BasisFactory.cc

@@ -4,6 +4,7 @@
 #include <EXPException.H>
 #include <BasisFactory.H>
 #include <DiskModels.H>
+#include <exputils.H>
 #include <gaussQ.H>
 
 #ifdef HAVE_FE_ENABLE
@@ -319,7 +320,7 @@ namespace BasisClasses
        0, 1, cachename);
 
     // Test basis for consistency
-    orthoCompare(orthoCheck(std::max<int>(nmax*50, 200)), classname(), harmonic());
+    orthoTest(orthoCheck(std::max<int>(nmax*50, 200)), classname(), harmonic());
 
     // Number of possible threads
     int nthrds = omp_get_max_threads();
@@ -1655,7 +1656,7 @@ namespace BasisClasses
 
     // Orthogonality sanity check
     //
-    orthoCompare(orthoCheck(), classname(), harmonic());
+    orthoTest(orthoCheck(), classname(), harmonic());
 
     // Get max threads
     //

exputil/BiorthCyl.cc

@@ -30,16 +30,6 @@ using namespace __EXP__;	// For reference to n-body globals
 // Constructor
 BiorthCyl::BiorthCyl(const YAML::Node& conf) : conf(conf)
 {
-  // Check whether MPI is initialized.  Use flag to suppress MPI calls
-  // if MPI is not active.
-  //
-  {
-    int flag;
-    MPI_Initialized(&flag);
-    if (flag) use_mpi = true;
-    else      use_mpi = false;
-  }
-
   // Read and assign parameters
   //
   try {
@@ -120,7 +110,7 @@ BiorthCyl::BiorthCyl(const YAML::Node& conf) : conf(conf)
 			   << std::string(60, '-') << std::endl
 			   << conf
 			   << std::string(60, '-') << std::endl;
-    if (use_mpi) MPI_Finalize();
+    MPI_Finalize();
     exit(-1);
   }
 
@@ -164,7 +154,6 @@ void BiorthCyl::initialize()
       zforce[m][n].resize(numx, numy);
     }
   }
-
 }
 
 void BiorthCyl::create_tables()
@@ -241,21 +230,18 @@ void BiorthCyl::create_tables()
   }
   // END: m loop
 
-  // Does not require mpi; mpid=0 for non-MPI invocations
   if (verbose and myid==0) std::cout << std::endl;
 
-  if (use_mpi) {
-    for (int m=0; m<=mmax; m++) {
-      for (int n=0; n<nmax; n++) {
-	MPI_Allreduce(MPI_IN_PLACE, dens  [m][n].data(), numx*numy,
-		      MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-	MPI_Allreduce(MPI_IN_PLACE, pot   [m][n].data(), numx*numy,
-		      MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-	MPI_Allreduce(MPI_IN_PLACE, rforce[m][n].data(), numx*numy,
-		      MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-	MPI_Allreduce(MPI_IN_PLACE, zforce[m][n].data(), numx*numy,
-		      MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-      }
+  for (int m=0; m<=mmax; m++) {
+    for (int n=0; n<nmax; n++) {
+      MPI_Allreduce(MPI_IN_PLACE, dens  [m][n].data(), numx*numy,
+		    MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+      MPI_Allreduce(MPI_IN_PLACE, pot   [m][n].data(), numx*numy,
+		    MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+      MPI_Allreduce(MPI_IN_PLACE, rforce[m][n].data(), numx*numy,
+		    MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+      MPI_Allreduce(MPI_IN_PLACE, zforce[m][n].data(), numx*numy,
+		    MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
     }
   }
 

exputil/orthoTest.cc

@@ -13,8 +13,8 @@
 #include <localmpi.H>		// MPI support
 #include <libvars.H>		// For orthoTol
 
-std::tuple<bool, double, std::vector<double>>
-orthoCompute(const std::vector<Eigen::MatrixXd>& tests)
+void orthoTest(const std::vector<Eigen::MatrixXd>& tests,
+	       const std::string& classname, const std::string& indexname)
 {
   // Number of possible threads
   int nthrds = omp_get_max_threads();
@@ -53,28 +53,18 @@ orthoCompute(const std::vector<Eigen::MatrixXd>& tests)
   double worst_ever = *std::max_element(lworst.begin(), lworst.end());
 
   if (worst_ever > __EXP__::orthoTol) {
-    return {false, worst_ever, lworst};
-  } else {
-    return {true, worst_ever, lworst};
-  }
-}
-
-
-void orthoCompare(const std::vector<Eigen::MatrixXd>& tests,
-		  const std::string& classname, const std::string& indexname)
-{
-  auto [good, worst, lworst] = orthoCompute(tests);
-
-  if (good) {
-    if (myid==0) 
-      std::cout << classname + ": biorthogonal check passed" << std::endl;
-  } else {
     std::cout << classname << ": orthogonality failure" << std::endl
 	      << std::right
 	      << std::setw(4) << indexname
 	      << std::setw(16) << "Worst" << std::endl;
-    for (int l=0; l<lworst.size(); l++) {
+    for (int l=0; l<tests.size(); l++) {
       std::cout << std::setw(4) << l << std::setw(16) << lworst[l] << std::endl;
     }
+
+    throw std::runtime_error(classname + ": biorthogonal sanity check");
+  } else {
+    if (myid==0) 
+      std::cout << classname + ": biorthogonal check passed" << std::endl;
   }
 }
+

include/BiorthCyl.H

@@ -100,11 +100,11 @@ protected:
   //! Read the HDF5 cache
   virtual bool ReadH5Cache();
 
-  //! Flag for MPI enabled (default: 0=off)
-  int use_mpi;
-
 public:
 
+  //! Flag for MPI enabled (default: 0=off)
+  static int mpi;
+
   //! Constructor
   BiorthCyl(const YAML::Node& conf);
 

include/exputils.H

@@ -6,15 +6,7 @@
 #include <string>
 #include <Eigen/Eigen>
 
-//! Compare biorthogoal matrices with idenity and return worst case
-//! error and success value based on __EXP__::orthoTol
-std::tuple<bool, double, std::vector<double>>
-orthoCompute(const std::vector<Eigen::MatrixXd>& tests);
-
-//! Use orthoCompute() to compare biorthogonal matrices with idenity
-//! and throw std::runtime_error if worst case exceeds tolerance
-void
-orthoCompare(const std::vector<Eigen::MatrixXd>& tests,
-	     const std::string& classname, const std::string& indexname);
+void orthoTest(const std::vector<Eigen::MatrixXd>& tests,
+	       const std::string& classname, const std::string& indexname);
 
 #endif

pyEXP/BasisWrappers.cc

@@ -868,25 +868,7 @@ void BasisFactoryClasses(py::module &m) {
         list(numpy.ndarray)
 	    list of numpy.ndarrays from [0, ... , Lmax]
         )",
-	py::arg("knots")=100)
-      .def("orthoTest", [](BasisClasses::SphericalSL& A, int knots)
-      {
-	return A.orthoTest(knots);
-      },
-	R"(
-        Check orthgonality of basis functions by quadrature and return
-        success value.  Uses orthoCheck() to test orthogonality.
-
-        Parameters
-        ----------
-        knots : int, default=40
-            Number of quadrature knots
-
-        Returns
-        -------
-        boolean
-        )",
-	py::arg("knots")=100)
+	py::arg("knots")=40)
       .def_static("cacheInfo", [](std::string cachefile)
       {
 	return BasisClasses::SphericalSL::cacheInfo(cachefile);
@@ -973,31 +955,14 @@ void BasisFactoryClasses(py::module &m) {
 
         Parameters
         ----------
-        None
+        knots : int
+            Number of quadrature knots
 
         Returns
         -------
         list(numpy.ndarray)
 	    list of numpy.ndarrays from [0, ... , Mmax]
         )")
-    .def("orthoTest", [](BasisClasses::Cylindrical& A)
-	 {
-	   return A.orthoTest();
-	 },
-	R"(
-        Check orthgonality of basis functions by quadrature.
-
-        Uses orthoTest() to return a success value based on distance 
-        from the identity matrix.
-
-        Parameters
-        ----------
-        None
-
-        Returns
-        -------
-        boolean
-        )")
     .def_static("cacheInfo", [](std::string cachefile)
     {
       return BasisClasses::Cylindrical::cacheInfo(cachefile);
@@ -1077,30 +1042,15 @@ void BasisFactoryClasses(py::module &m) {
 
       Parameters
       ----------
-      None
+      knots : int, default=40
+          Number of quadrature knots
 
       Returns
       -------
       list(numpy.ndarray)
           list of numpy.ndarrays from [0, ... , Mmax]
        )"
       )
-      .def("orthoTest", [](BasisClasses::FlatDisk& A)
-      {
-	return A.orthoTest();
-      },
-	R"(
-        Check orthgonality of basis functions by quadrature and return
-        success value.  Uses orthoCheck() to test orthogonality.
-
-        Parameters
-        ----------
-        None
-
-        Returns
-        -------
-        boolean
-        )")
     .def_static("cacheInfo", [](std::string cachefile)
     {
       return BasisClasses::FlatDisk::cacheInfo(cachefile);

src/Cylinder.cc

@@ -379,7 +379,7 @@ Cylinder::Cylinder(Component* c0, const YAML::Node& conf, MixtureBasis *m) :
   // error is out of tolerance)
   //
   std::cout << "---- ";
-  orthoCompare(ortho->orthoCheck(), "Cylinder", "m");
+  orthoTest(ortho->orthoCheck(), "Cylinder", "m");
 
   // Initialize internal variables
   //

src/OutLog.cc

@@ -247,15 +247,21 @@ void OutLog::Run(int n, int mstep, bool last)
 	std::ifstream in(backupfile.c_str());
 
 	if (in.fail()) {
-	  std::ostringstream message;
+	  ostringstream message;
 	  message << "OutLog: error opening original log file <"
 		  << backupfile << "> for reading";
 	  throw GenericError(message.str(), __FILE__, __LINE__, 1036, true);
 	}
 
-	// Temporary character buffer
 	const int cbufsiz = 16384;
-	auto cbuffer = std::make_unique<char[]>(cbufsiz);
+	std::shared_ptr<char> cbuffer;
+
+	// Use this as of C++17
+	// info = std::make_shared<char[]>(ninfochar+1);
+
+	// C++14 workaround:
+	cbuffer = std::shared_ptr<char>(new char[cbufsiz],
+					std::default_delete<char[]>());
 
 	// Null fill the buffer
 	std::fill(cbuffer.get(), cbuffer.get()+cbufsiz, 0);