Example #1
0
        /// <summary>
        /// defines how species in the agglomerated cells
        /// map to species in the base grid cells.
        /// </summary>
        private void UpdateSpeciesMapping(MultiphaseCellAgglomerator Agglomerator)
        {
            Debug.Assert(object.ReferenceEquals(Agglomerator.Tracker, this.XDGBasis.Tracker));
            var LsTrk         = this.XDGBasis.Tracker;
            int GlobalNoOfSpc = LsTrk.SpeciesIdS.Count;
            var agg           = base.AggGrid;

            int[][] compCells = agg.iLogicalCells.AggregateCellToParts;
            int     JAGG      = compCells.Length;

            Debug.Assert(JAGG == agg.iLogicalCells.Count);
            int JAGGup = agg.iLogicalCells.NoOfLocalUpdatedCells;

            this.UsedSpecies = Agglomerator.SpeciesList.ToArray();

            if (NoOfSpecies == null)
            {
                NoOfSpecies         = new int[JAGG];
                SpeciesIndexMapping = new int[JAGG][, ];
            }
            else
            {
                Debug.Assert(NoOfSpecies.Length == JAGG);
                Array.Clear(NoOfSpecies, 0, JAGG);
            }

            if (AggCellsSpecies == null)
            {
                AggCellsSpecies = new SpeciesId[JAGG][];
            }
            //if (CoarseToFineSpeciesIndex == null && agg.MgLevel > 0)
            //    CoarseToFineSpeciesIndex = new int[JAGG][,];


            Dictionary <SpeciesId, BitArray> agglomeratedCells = new Dictionary <SpeciesId, BitArray>();

            foreach (var SpId in Agglomerator.SpeciesList)
            {
                agglomeratedCells.Add(SpId, Agglomerator.GetAgglomerator(SpId).AggInfo.SourceCells.GetBitMaskWithExternal());
            }

            // temp buffer
            int[] _NoOfSpecies                    = new int[agg.jCellCoarse2jCellFine[0].Length];
            ReducedRegionCode[] _RRcs             = new ReducedRegionCode[agg.iLogicalCells.AggregateCellToParts[0].Length];
            SpeciesId[]         allPresentSpecies = new SpeciesId[LsTrk.TotalNoOfSpecies];

            // loop over all aggregate (multigrid) cells...
            for (int jagg = 0; jagg < JAGGup; jagg++)
            {
                int[] compCell = compCells[jagg];
                int   K        = compCell.Length;

                // buffer sizes
                if (K > _NoOfSpecies.Length)
                {
                    int newLen = (int)Math.Ceiling(K * 1.2);
                    Array.Resize(ref _NoOfSpecies, newLen);
                    Array.Resize(ref _RRcs, newLen);
                }

                // check no of species:
                int MaxNoOfSpecies = 0;     // number of species in the composite cell
                for (int k = 0; k < K; k++) // loop over original cells in composite cell
                {
                    int jCell = compCell[k];
                    _NoOfSpecies[k] = LsTrk.Regions.GetNoOfSpecies(jCell, out _RRcs[k]);
                    MaxNoOfSpecies  = Math.Max(_NoOfSpecies[k], MaxNoOfSpecies);
                }

                if (MaxNoOfSpecies == 1)
                {
                    // only one species -- use single-phase implementation in underlying class

                    this.SpeciesIndexMapping[jagg] = null;
                    this.NoOfSpecies[jagg]         = 1;
                    //this.XCompositeBasis[jagg] = null;
                    this.AggCellsSpecies[jagg] = null;
                    //this.CoarseToFineSpeciesIndex[jagg] = null;
                }
                else
                {
                    //LsTrk.ContainesSpecies

                    int w = 0; // counter for found species

                    if (this.SpeciesIndexMapping[jagg] == null || this.SpeciesIndexMapping[jagg].GetLength(0) != w)
                    {
                        this.SpeciesIndexMapping[jagg] = new int[0, compCell.Length];
                    }
                    ArrayTools.SetAll(this.SpeciesIndexMapping[jagg], -897645);


                    // collect all species which are present in the composite cell 'jagg':
                    // -------------------------------------------------------------------
                    for (int k = 0; k < K; k++)  // loop over all base cells in the aggregate cell 'jagg'
                    {
                        var rrc   = _RRcs[k];
                        int jCell = compCell[k]; // base cell index

                        for (int iSpc = _NoOfSpecies[k] - 1; iSpc >= 0; iSpc--)
                        {
                            SpeciesId spId           = LsTrk.GetSpeciesIdFromIndex(rrc, iSpc);
                            bool      isPresent      = LsTrk.Regions.IsSpeciesPresentInCell(spId, jCell);
                            bool      isAgglomerated = agglomeratedCells.ContainsKey(spId) ? agglomeratedCells[spId][jCell] : false;
                            bool      isUsed         = Array.IndexOf(this.UsedSpecies, spId) >= 0;

                            if (isUsed && isPresent && !isAgglomerated)
                            {
                                bool bfound = false;

                                int z;
                                for (z = 0; z < w; z++)  // loop over species found so far...
                                {
                                    if (allPresentSpecies[z] == spId)
                                    {
                                        bfound = true;
                                        break;
                                    }
                                }
                                if (!bfound)
                                {
                                    // species not found -> add to list
                                    allPresentSpecies[w] = spId;
                                    z = w;
                                    w++;
                                }

                                // z    is the species index in the composite cell
                                // iSpc is the species index in 'jCell'
                                Resize2DArray(ref this.SpeciesIndexMapping[jagg], w, K, -897645);
                                this.SpeciesIndexMapping[jagg][z, k] = iSpc;
                            }
                        }
                    }

                    this.AggCellsSpecies[jagg] = allPresentSpecies.GetSubVector(0, w);
                    this.NoOfSpecies[jagg]     = w;
                    Debug.Assert(this.NoOfSpecies[jagg] == this.SpeciesIndexMapping[jagg].GetLength(0));
                }
                Debug.Assert(this.NoOfSpecies[jagg] >= 0);
                Debug.Assert(this.NoOfSpecies[jagg] <= this.UsedSpecies.Length);
            }

            // MPI exchange for external cells
            // note: external aggregation cells may be incomplete, i.e. not have all parts, only those known to parent
            NoOfSpecies.MPIExchange(this.AggGrid);
        }
Example #2
0
        protected override double RunSolverOneStep(int TimestepNo, double phystime, double dt)
        {
            Console.WriteLine("    Timestep # " + TimestepNo + ", phystime = " + phystime);

            //phystime = 1.8;
            LsUpdate(phystime);


            // operator-matrix assemblieren
            MsrMatrix OperatorMatrix = new MsrMatrix(u.Mapping, u.Mapping);

            double[] Affine = new double[OperatorMatrix.RowPartitioning.LocalLength];

            // Agglomerator setup
            MultiphaseCellAgglomerator Agg = LsTrk.GetAgglomerator(new SpeciesId[] { LsTrk.GetSpeciesId("B") }, QuadOrder, this.THRESHOLD);

            // plausibility of cell length scales
            if (SER_PAR_COMPARISON)
            {
                TestLengthScales(QuadOrder, TimestepNo);
            }

            Console.WriteLine("Inter-Process agglomeration? " + Agg.GetAgglomerator(LsTrk.GetSpeciesId("B")).AggInfo.InterProcessAgglomeration);
            if (this.THRESHOLD > 0.01)
            {
                TestAgglomeration_Extraploation(Agg);
                TestAgglomeration_Projection(QuadOrder, Agg);
            }
            CheckExchange(true);
            CheckExchange(false);

            // operator matrix assembly
            XSpatialOperatorMk2.XEvaluatorLinear mtxBuilder = Op.GetMatrixBuilder(base.LsTrk, u.Mapping, null, u.Mapping);
            mtxBuilder.time = 0.0;
            mtxBuilder.ComputeMatrix(OperatorMatrix, Affine);
            Agg.ManipulateMatrixAndRHS(OperatorMatrix, Affine, u.Mapping, u.Mapping);

            // mass matrix factory
            var Mfact = LsTrk.GetXDGSpaceMetrics(new SpeciesId[] { LsTrk.GetSpeciesId("B") }, QuadOrder, 1).MassMatrixFactory;// new MassMatrixFactory(u.Basis, Agg);

            // Mass matrix/Inverse Mass matrix
            //var MassInv = Mfact.GetMassMatrix(u.Mapping, new double[] { 1.0 }, true, LsTrk.GetSpeciesId("B"));
            var Mass = Mfact.GetMassMatrix(u.Mapping, new double[] { 1.0 }, false, LsTrk.GetSpeciesId("B"));

            Agg.ManipulateMatrixAndRHS(Mass, default(double[]), u.Mapping, u.Mapping);
            var MassInv = Mass.InvertBlocks(OnlyDiagonal: true, Subblocks: true, ignoreEmptyBlocks: true, SymmetricalInversion: false);


            // test that operator depends only on B-species values
            double DepTest = LsTrk.Regions.GetSpeciesSubGrid("B").TestMatrixDependency(OperatorMatrix, u.Mapping, u.Mapping);

            Console.WriteLine("Matrix dependency test: " + DepTest);
            Assert.LessOrEqual(DepTest, 0.0);

            // diagnostic output
            Console.WriteLine("Number of Agglomerations (all species): " + Agg.TotalNumberOfAgglomerations);
            Console.WriteLine("Number of Agglomerations (species 'B'): " + Agg.GetAgglomerator(LsTrk.GetSpeciesId("B")).AggInfo.SourceCells.NoOfItemsLocally.MPISum());

            // operator auswerten:
            double[] x = new double[Affine.Length];
            BLAS.daxpy(x.Length, 1.0, Affine, 1, x, 1);
            OperatorMatrix.SpMVpara(1.0, u.CoordinateVector, 1.0, x);
            MassInv.SpMV(1.0, x, 0.0, du_dx.CoordinateVector);
            Agg.GetAgglomerator(LsTrk.GetSpeciesId("B")).Extrapolate(du_dx.Mapping);

            // markieren, wo ueberhaupt A und B sind
            Bmarker.AccConstant(1.0, LsTrk.Regions.GetSpeciesSubGrid("B").VolumeMask);
            Amarker.AccConstant(+1.0, LsTrk.Regions.GetSpeciesSubGrid("A").VolumeMask);
            if (usePhi0 && usePhi1)
            {
                Xmarker.AccConstant(+1.0, LsTrk.Regions.GetSpeciesSubGrid("X").VolumeMask);
            }

            // compute error
            ERR.Clear();
            ERR.Acc(1.0, du_dx_Exact, LsTrk.Regions.GetSpeciesSubGrid("B").VolumeMask);
            ERR.Acc(-1.0, du_dx, LsTrk.Regions.GetSpeciesSubGrid("B").VolumeMask);
            double L2Err = ERR.L2Norm(LsTrk.Regions.GetSpeciesSubGrid("B").VolumeMask);

            Console.WriteLine("L2 Error: " + L2Err);

            XERR.Clear();
            XERR.GetSpeciesShadowField("B").Acc(1.0, ERR, LsTrk.Regions.GetSpeciesSubGrid("B").VolumeMask);
            double xL2Err = XERR.L2Norm();

            Console.WriteLine("L2 Error (in XDG space): " + xL2Err);



            // check error
            double ErrorThreshold = 1.0e-1;

            if (this.MomentFittingVariant == XQuadFactoryHelper.MomentFittingVariants.OneStepGaussAndStokes)
            {
                ErrorThreshold = 1.0e-6; // HMF is designed for such integrands and should perform close to machine accuracy; on general integrands, the precision is different.
            }
            bool IsPassed = ((L2Err <= ErrorThreshold || this.THRESHOLD <= ErrorThreshold) && xL2Err <= ErrorThreshold);

            if (IsPassed)
            {
                Console.WriteLine("Test PASSED");
            }
            else
            {
                Console.WriteLine("Test FAILED: check errors.");
                //PlotCurrentState(phystime, TimestepNo, 3);
            }

            if (TimestepNo > 1)
            {
                if (this.THRESHOLD > ErrorThreshold)
                {
                    // without agglomeration, the error in very tiny cut-cells may be large over the whole cell
                    // However, the error in the XDG-space should be small under all circumstances
                    Assert.LessOrEqual(L2Err, ErrorThreshold, "DG L2 error of computing du_dx");
                }
                Assert.LessOrEqual(xL2Err, ErrorThreshold, "XDG L2 error of computing du_dx");
            }



            // return/Ende
            base.NoOfTimesteps = 17;
            //base.NoOfTimesteps = 2;
            dt = 0.3;
            return(dt);
        }
Example #3
0
        private void AssembleMatrix(double MU_A, double MU_B, out BlockMsrMatrix M, out double[] b, out MultiphaseCellAgglomerator agg, out MassMatrixFactory massFact)
        {
            using (var tr = new FuncTrace()) {
                // create operator
                // ===============

                if (this.Control.SetDefaultDiriBndCnd)
                {
                    this.Control.xLaplaceBCs.g_Diri      = ((CommonParamsBnd inp) => 0.0);
                    this.Control.xLaplaceBCs.IsDirichlet = (inp => true);
                }

                double D                  = this.GridData.SpatialDimension;
                int    p                  = u.Basis.Degree;
                double penalty_base       = (p + 1) * (p + D) / D;
                double penalty_multiplyer = base.Control.penalty_multiplyer;

                XQuadFactoryHelper.MomentFittingVariants momentFittingVariant;
                if (D == 3)
                {
                    momentFittingVariant = XQuadFactoryHelper.MomentFittingVariants.Classic;
                }

                momentFittingVariant = this.Control.CutCellQuadratureType;

                int order = this.u.Basis.Degree * 2;

                XSpatialOperator Op = new XSpatialOperator(1, 1, (A, B, C) => order, "u", "c1");
                var lengthScales    = ((BoSSS.Foundation.Grid.Classic.GridData)GridData).Cells.PenaltyLengthScales;
                var lap             = new XLaplace_Bulk(this.LsTrk, penalty_multiplyer * penalty_base, "u", this.Control.xLaplaceBCs, 1.0, MU_A, MU_B, lengthScales, this.Control.ViscosityMode);
                Op.EquationComponents["c1"].Add(lap);                                                                                          // Bulk form
                Op.EquationComponents["c1"].Add(new XLaplace_Interface(this.LsTrk, MU_A, MU_B, penalty_base * 2, this.Control.ViscosityMode)); // coupling form

                Op.Commit();

                // create agglomeration
                // ====================

                var map = new UnsetteledCoordinateMapping(u.Basis);

                //agg = new MultiphaseCellAgglomerator(
                //    new CutCellMetrics(momentFittingVariant,
                //        QuadOrderFunc.SumOfMaxDegrees(RoundUp: true)(map.BasisS.Select(bs => bs.Degree).ToArray(), new int[0], map.BasisS.Select(bs => bs.Degree).ToArray()),
                //        //this.HMFDegree,
                //        LsTrk, this.LsTrk.SpeciesIdS.ToArray()),
                //    this.Control.AgglomerationThreshold, false);
                agg = LsTrk.GetAgglomerator(this.LsTrk.SpeciesIdS.ToArray(), order, this.Control.AgglomerationThreshold);

                // compute matrix
                // =============
                using (new BlockTrace("XdgMatrixAssembly", tr)) {
                    M = new BlockMsrMatrix(map, map);
                    b = new double[M.RowPartitioning.LocalLength];

                    Op.ComputeMatrixEx(LsTrk,
                                       map, null, map,
                                       M, b, false, 0.0, true,
                                       agg.CellLengthScales, null, null, //out massFact,
                                       this.LsTrk.SpeciesIdS.ToArray());
                }
                // compare with linear evaluation
                // ==============================
                DGField[]        testDomainFieldS = map.BasisS.Select(bb => new XDGField(bb as XDGBasis)).ToArray();
                CoordinateVector test             = new CoordinateVector(testDomainFieldS);

                DGField[]        errFieldS = map.BasisS.Select(bb => new XDGField(bb as XDGBasis)).ToArray();
                CoordinateVector Err       = new CoordinateVector(errFieldS);

                var eval = Op.GetEvaluatorEx(LsTrk,
                                             testDomainFieldS, null, map);

                foreach (var s in this.LsTrk.SpeciesIdS)
                {
                    eval.SpeciesOperatorCoefficients[s].CellLengthScales = agg.CellLengthScales[s];
                }

                eval.time = 0.0;
                int    L = test.Count;
                Random r = new Random();
                for (int i = 0; i < L; i++)
                {
                    test[i] = r.NextDouble();
                }



                double[] R1 = new double[L];
                double[] R2 = new double[L];
                eval.Evaluate(1.0, 1.0, R1);

                R2.AccV(1.0, b);
                M.SpMV(1.0, test, 1.0, R2);

                Err.AccV(+1.0, R1);
                Err.AccV(-1.0, R2);

                double ErrDist = GenericBlas.L2DistPow2(R1, R2).MPISum().Sqrt();

                double Ref = test.L2NormPow2().MPISum().Sqrt();

                Assert.LessOrEqual(ErrDist, Ref * 1.0e-5, "Mismatch between explicit evaluation of XDG operator and matrix.");


                // agglomeration wahnsinn
                // ======================

                agg.ManipulateMatrixAndRHS(M, b, map, map);

                foreach (var S in this.LsTrk.SpeciesNames)
                {
                    Console.WriteLine("  Species {0}: no of agglomerated cells: {1}",
                                      S, agg.GetAgglomerator(this.LsTrk.GetSpeciesId(S)).AggInfo.SourceCells.NoOfItemsLocally);
                }


                // mass matrix factory
                // ===================

                Basis maxB = map.BasisS.ElementAtMax(bss => bss.Degree);
                //massFact = new MassMatrixFactory(maxB, agg);
                massFact = LsTrk.GetXDGSpaceMetrics(this.LsTrk.SpeciesIdS.ToArray(), order).MassMatrixFactory;
            }
        }
Example #4
0
        /// <summary>
        /// Mainly, comparison of single-core vs MPI-parallel run
        /// </summary>
        void TestLengthScales(int quadOrder, int TimestepNo)
        {
            string name_disc = $"t{TimestepNo}-alpha{this.THRESHOLD}-p{this.DEGREE}-q{MomentFittingVariant}";
            var    spcA      = LsTrk.GetSpeciesId("A");
            var    spcB      = LsTrk.GetSpeciesId("B");

            var species = new[] { spcA, spcB };
            //MultiphaseCellAgglomerator.CheckFile = $"InsideMpagg-{name_disc}.csv";
            MultiphaseCellAgglomerator Agg = LsTrk.GetAgglomerator(species, quadOrder, this.THRESHOLD);

            int RefMPIsize = 1;


            // check level-set coordinates
            // ===========================
            {
                var LsChecker = new TestingIO(this.GridData, $"LevelSets-{name_disc}.csv", RefMPIsize);
                LsChecker.AddDGField(this.Phi0);
                LsChecker.AddDGField(this.Phi1);
                LsChecker.DoIOnow();

                Assert.Less(LsChecker.AbsError(this.Phi0), 1.0e-8, "Mismatch in level-set 0 between single-core and parallel run.");
                Assert.Less(LsChecker.AbsError(this.Phi1), 1.0e-8, "Mismatch in level-set 1 between single-core and parallel run.");
            }


            // check equality of agglomeration
            // ===============================

            // Note: agglomeration in parallel and serial mode is not necessarily equal - but very often it is.
            //       Therefore, we need to check whether the agglomeration is equal or not,
            //       in order to know whether agglomerated length scales should be compared or not.

            bool[] equalAggAsinReferenceRun;
            {
                var    aggoCheck = new TestingIO(this.GridData, $"Agglom-{name_disc}.csv", RefMPIsize);
                long[] GiDs      = GridData.CurrentGlobalIdPermutation.Values;
                int    J         = GridData.iLogicalCells.NoOfLocalUpdatedCells;
                long[] extGiDs   = GridData.iParallel.GlobalIndicesExternalCells;

                for (int iSpc = 0; iSpc < species.Length; iSpc++)
                {
                    var spc      = species[iSpc];
                    var spcN     = LsTrk.GetSpeciesName(spc);
                    var ai       = Agg.GetAgglomerator(spc).AggInfo;
                    var srcMask  = ai.SourceCells.GetBitMask();
                    var aggPairs = ai.AgglomerationPairs;

                    aggoCheck.AddColumn($"SourceCells{spcN}", delegate(double[] X, int j, int jG) {
                        if (srcMask[j])
                        {
                            var pair = aggPairs.Single(cap => cap.jCellSource == j);
                            if (pair.jCellTarget < J)
                            {
                                return((double)GiDs[pair.jCellTarget]);
                            }
                            else
                            {
                                return((double)extGiDs[pair.jCellTarget - J]);
                            }
                        }
                        return(0.0);
                    });
                }

                aggoCheck.DoIOnow();

                equalAggAsinReferenceRun = new bool[species.Length];
                for (int iSpc = 0; iSpc < species.Length; iSpc++)
                {
                    var spc  = species[iSpc];
                    var spcN = LsTrk.GetSpeciesName(spc);

                    equalAggAsinReferenceRun[iSpc] = aggoCheck.AbsError($"SourceCells{spcN}") < 0.1;
                    if (equalAggAsinReferenceRun[iSpc] == false)
                    {
                        Console.WriteLine("Different agglomeration between single-core and parallel run for species " + spcN + ".");
                    }
                }

                //Agg.PlotAgglomerationPairs($"-aggPairs-{name_disc}-MPI{MPIRank + 1}of{MPISize}");
            }


            // compare length scales
            // =====================

            csMPI.Raw.Comm_Rank(csMPI.Raw._COMM.WORLD, out int rank);

            foreach (ICutCellMetrics ccm in new ICutCellMetrics[] { Agg.NonAgglomeratedMetrics, Agg })  // loop over non-agglom and agglomerated metrics
            {
                string name;
                bool   Agglom;
                if (object.ReferenceEquals(ccm, Agg))
                {
                    name   = "Agglomerated";
                    Agglom = true;
                }
                else
                {
                    name   = "Nonagglom";
                    Agglom = false;
                }

                MultidimensionalArray CellSurfaceA = ccm.CellSurface[spcA];
                MultidimensionalArray CellVolumeA  = ccm.CutCellVolumes[spcA];
                MultidimensionalArray CellSurfaceB = ccm.CellSurface[spcB];
                MultidimensionalArray CellVolumeB  = ccm.CutCellVolumes[spcB];


                string FileName = $"{name}LengthScales-{name_disc}.csv";
                var    Checker  = new TestingIO(this.GridData, FileName, RefMPIsize);
                Checker.AddColumn("CellSurfA", (double[] X, int j, int jG) => CellSurfaceA[j]);
                Checker.AddColumn("CellVolA", (double[] X, int j, int jG) => CellVolumeA[j]);
                Checker.AddColumn("CellSurfB", (double[] X, int j, int jG) => CellSurfaceB[j]);
                Checker.AddColumn("CellVolB", (double[] X, int j, int jG) => CellVolumeB[j]);
                Checker.DoIOnow();

                if (this.MPISize == 1)
                {
                    var Checker2 = new TestingIO(this.GridData, FileName, int.MaxValue);
                    Checker2.AddColumn("CellSurfA", (double[] X, int j, int jG) => CellSurfaceA[j]);
                    Checker2.AddColumn("CellVolA", (double[] X, int j, int jG) => CellVolumeA[j]);
                    Checker2.AddColumn("CellSurfB", (double[] X, int j, int jG) => CellSurfaceB[j]);
                    Checker2.AddColumn("CellVolB", (double[] X, int j, int jG) => CellVolumeB[j]);
                    Checker2.DoIOnow();

                    foreach (string s in Checker2.ColumnNames)
                    {
                        Assert.Less(Checker2.RelError(s), 1.0e-10, "'TestingUtils.Compare' itself is f****d up.");
                    }
                }

                double srfA = Checker.RelError("CellSurfA") * ((!Agglom || equalAggAsinReferenceRun[0]) ? 1.0 : 0.0);
                double volA = Checker.RelError("CellVolA") * ((!Agglom || equalAggAsinReferenceRun[0]) ? 1.0 : 0.0);
                double srfB = Checker.RelError("CellSurfB") * ((!Agglom || equalAggAsinReferenceRun[1]) ? 1.0 : 0.0);
                double volB = Checker.RelError("CellVolB") * ((!Agglom || equalAggAsinReferenceRun[1]) ? 1.0 : 0.0);

                if (srfA + volA + srfB + volB > 0.001)
                {
                    Console.WriteLine($"Mismatch in {name} cell surface for species A between single-core and parallel run: {srfA}.");
                    Console.WriteLine($"Mismatch in {name} cell volume  for species A between single-core and parallel run: {volA}.");
                    Console.WriteLine($"Mismatch in {name} cell surface for species B between single-core and parallel run: {srfB}.");
                    Console.WriteLine($"Mismatch in {name} cell volume  for species B between single-core and parallel run: {volB}.");
                }


                Assert.Less(srfA, BLAS.MachineEps.Sqrt(), $"Mismatch in {name} cell surface for species A between single-core and parallel run.");
                Assert.Less(volA, BLAS.MachineEps.Sqrt(), $"Mismatch in {name} cell volume  for species A between single-core and parallel run.");
                Assert.Less(srfB, BLAS.MachineEps.Sqrt(), $"Mismatch in {name} cell surface for species B between single-core and parallel run.");
                Assert.Less(volB, BLAS.MachineEps.Sqrt(), $"Mismatch in {name} cell volume  for species B between single-core and parallel run.");
            }
        }