Questions tagged [c++]

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Why does Eigen allocate a temporary to evaluate A.noalias() = B.transpose()*C in parallel?

I wrote a program which iteratively transforms data using matrix multiplications. To minimize the number of large memory allocations, I use two roughly equal-sized ...
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29 views

Intel MKL DSS handle type

I am using Intel MKL's Direct sparse solver to solve a system of equations. Intel MKL provides a bunch of routines for this: dss_create dss_define_structure dss_reorder dss_factor_real, ...
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1answer
141 views

Perturbation problem using Runge-Kutta 4

I'm trying to evaluate the perturbations magnitude between 2 body orbiting a central one in three dimensions. In order to do this I need to have an estimate of the error, which I did using Richardson ...
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1answer
102 views

Reference request: C++ and numerical analysis book

I'm a master student with a good Numerical analysis background. I'm going to do a master thesis in the same subject, but I need to use C++ since my advisor loves it, and I also believe it's the best ...
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1answer
72 views

Need software for generating self-avoiding random walks on a tetrahedral lattice

I am looking for FOSS code that can generate self-avoiding random walk trajectories on a tetrahedral lattice. The purpose of the exercise is to create random conformations of model polymer chains that ...
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1answer
29 views

MPI_Test not progressing MPI_Isend/MPI_Irecv requests

I am running a CFD simulation with a 200,000-vertex mesh. I've decomposed the mesh into 2 load-balanced sub-domains to test my parallel implementation. In the specific function that I am time-...
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1answer
81 views

Point cloud to height map in C++

With the increased popularity of 3D imaging and scanning I thought it would be easy to transform a xyz point cloud into a Height Map (xy matrix of z points), but after a couple of hours searching I ...
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36 views

N-body correct scaling

I realized an usual way to scale an N-body problem for an N-body simulation is by choosing units such that gravitational constant $G = 1$, but I'm probably doing it the wrong way. Suppose I simply ...
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2answers
154 views

Using the BDF and RK4 methods to solve this coupled system of ODEs in C++

I'm trying to solve a system of ODEs using the BDF order 4 method. I find the first 3 points using RK4, then for the implicit part of the BDF, I use Newton-Raphson iteration. Unfortunately my solution ...
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1answer
121 views

Can one safely use an OpenMP parallel loop with Armadillo?

I have a C++ code performing some Armadillo computations in a loop. I'd like to parallelize this loop with OpenMP. But Armadillo automatically uses OpenMP for some computations. So, would the OpenMP ...
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1answer
88 views

Range of a matrix from its complete orthogonal decomposition

In this StackOverflow answer, @Gokul has shown how to get a basis of the kernel of a matrix with the help of the 'Eigen' function CompleteOrthogonalDecomposition. ...
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0answers
86 views

Optimize speed for calculating the approximate inverse of a large matrix

I am searching for a faster method to calculate an approximate inverse of a large matrix (up to 32000x32000) resulting from a discrete non-linear system of partial differential equations. I'm using C++...
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1answer
239 views

'Eigen' matrices with static dimension

I noticed that 'Eigen' matrices with dynamic dimension are less efficient than the matrices with static dimension. My algorithm uses a lot of matrices which don't need to be resized, so I wanted to ...
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66 views

Ill-conditioned stiffness matrix

I am writting a Fem code in c++ for a 2d plane stress model. My question is regarding the assembly stiffness matrix.I noticed that some elements of the matrix are not exactly zero but insted a number ...
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205 views

Which library to use in C++ for fast DCT's?

I need to apply a 1D type-II DCT (Discrete Cosine Transform) to each column of a matrix while normalizing the result in C++. Effectively, I want to multiply my matrix with an orthogonal type-II DCT-...
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43 views

Jacobi Gauss-Seidel Method

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Computing Singular Value Decomposition of small ($4\times 4$) matrices

I need to compute the Singular Value Decomposition (SVD) of many $4 \times 4$ matrices. I'm looking for SVD algorithms specialized for small matrices. I've read that the ...
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45 views

Triplet optimization algorithm producing weird results?

I wrote an algorithm for data analysis using the CERN ROOT framework. It takes in three files of sorted UNIX timestamps from a single year and pairs them up in the closest triplets, where each file ...
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1answer
83 views

Extracting data from VTK simulations using C++

I have been given a few numerical simulations regarding fluid mixing and have been asked to extract a few parameters from them using C++. Altogether there are about 1000 VTK files per simulation, and ...
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1answer
194 views

Reading VTK file into C++ for analysis

I apologize in advance if this post is at all ignorant or elementary, I am a pure mathematician who is newly getting into the world of scientific computing. For my research, my advisor would like me ...
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1answer
106 views

How to calculate error in successive over relaxation for PDE?

I am trying to solve the Poisson equation numerically using the FDM method in C++. But I have a little confusion with the iterative process. I understand that the number of iterations should go until ...
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1answer
152 views

Calculating the Strange Attractor of the Duffing Oscillator in C++

I am simultaneously trying to learn computational physics methods, chaos, and C++. I think this is the right site for the question, and I apologise if not. I started working through Thijssen's ...
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2answers
148 views

How to begin writing scientific codes in C++ in Trilinos or PETSC style?

My background: I have taken some courses on numerical analysis during my PhD and read a few books on the topic as well. I mostly work on low Reynolds number fluid mechanics and use boundary element ...
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1answer
1k views

How to document math formulations in scientific computing codes?

I am writing the code relate to math. There is some complicated math formulation in the project. Directly writing the calculation code leads to hard understanding; thus I want to comment on the ...
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0answers
24 views

CUDA and implicit array expansion

I am retrying this question since I didn’t do so properly last time: I have implement a simply c++ CUDA example that takes A [m x 1] and B [1 x N] and adds them element wise with what I am used to ...
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68 views

Calculating the exponential of a complex matrix

I am trying to calculate the exponent of a 3 x 3 matrix using the formula $\sum_{i=0}^\infty\frac {A^n}{n!}$ I believe that my error may lay in the scalar division with a factorial or the member ...
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1answer
157 views

Finite Difference libray C++

What is the best FD library (or collection of libraries) for C++ codes? I am looking for some data structure implementation that offers the possibility to do parallel computations on adaptively ...
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1answer
128 views

Suggestions for scientific computing projects to undertake to sharpen core skills

Currently I am completing all exercises in books like "Introduction to Python for Science and Engineering, David Pine" and "Guid to Scientific Computing in C++, Pitt-Francis, Whitley". I am looking ...
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57 views

Whi are chi-squared distributions in (C++) boost::random and C++ STL faster than in boost::math?

I am trying to generate random chi-squared numbers in C++, according to some degree of freedom (which can be a float). Several libraries can be used for that purpose, among which the C++11 Standard ...
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3answers
114 views

How to store a TB size array in C++ on a cluster

I want to do a huge simulation that requires ~ 1 TB of data to describe a bunch of interacting particles (each has different interactions). Is it possible to store this data in an array in C++, so ...
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1answer
262 views

C++ book recommendation- Scientific computing and C++

I'm a master's student in Math interested in Numerical Analysis. I know there are lots of questions like that on this site, but I think this is the best place to ask. So, I'm looking for an ...
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3answers
383 views

Generating Random Orthogonal Matrices in C++

I'm looking for an open-source library for the generation of random n-dimensional orthogonal matrices in C++. In python, it looks like such a function is available in the NumPy package. But I was not ...
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1answer
105 views

Is C++ and Object-Oriented Numeric Computing for Scientists and Engineers by Daoqi Yang still relevant?

I'm looking to learn C++ primarily from a scientific computation perspective. The approach of the textbook seems ideal to me as it covers C++ from first principles with an emphasis on numerical ...
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2answers
353 views

What are new c++20 features that are relevant to scientific computation?

In my research department we plan a small seminar on the new c++20 language standard. There are exhaustive lists online presenting the new features of the language standard, some of which will be of ...
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2answers
119 views

Writing code on the CPU while developing, running it on the GPU when live - which approach?

In my simulations I am using dense matrix-vector multiplications and 2D-fft transformations quite often, for matrix sizes of 8kx8k and up. Hence, I assume that using a GPU is beneficial for speeding ...
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1answer
74 views

Using adolc for the sign function in c++

Here is an implementation of the sign function in C++ using Adolc librairy for automatic differentiation. ...
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1answer
337 views

The Formula of Explicit Runge-Kutta Fourteen order

I need an explicit Runge-Kutta 14th order formula. If you know about some reference that discusses at least 10th order (or higher, since I'm looking for the 14th) of Runge-Kutta and there is ...
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1answer
209 views

How to perform an eigendecomposition of a general complex matrix with arbitrary precision in C/C++

I need to obtain the Eigenvectors of a general complex matrix, but with quadruple precision. Is anyone aware of a means to do this? I currently use Tux Eigen, and I see that in their unsupported ...
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1answer
105 views

Gmsh meshes flat faces incorrectly for cylindrical faces

I have some C++ code that generates meshes from step files and then analyses these meshes for visibility of the faces from different viewing directions. I currently use CGAL but I would like to switch ...
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3answers
160 views

GPGPU computing, software selection

I am using an existing GCC C++ x86 Qt application that filters, displays and stores results computed by some C code. Since the computation by now got too complex for CPUs I intend to port the small C ...
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1answer
962 views

Is using std::valarray considered good practice?

C++ has had the std::valarray class since the C++98 standard. It is meant to facilitate numerical computations, providing the sort of operations one would expect of ...
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0answers
82 views

How to deal with a huge system of ODEs in Boost ODEINT?

I am using the C++ library ODEint, which is part of Boost, to solve an extremely large system of coupled ODEs - in particular 1975 equations with large rational functions in the coefficients. In the ...
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1answer
66 views

PETSc - Manipulate BAIJ matrix locally

My program loads a parallel PETSc matrix $A$ on several MPI processes, each holding a block submatrix $A_i$. I would like to retrieve the local submatrix $A_i$, the one corresponding to the current ...
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0answers
38 views

Algorithm to join hexahedra and obtain outline volume

I would like to join several hexahedra and obtain an outline volume. First, I started with 2D implementation. In 2D, there are non-intersecting quadrangles which always touch each other as shown in ...
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96 views

How to read data from simply formatted text file (c++)?

Mesh information like points, faces and cells is to be stored into separate files: e.g. for points file: # points data: x y z N_Points 100 x1 y1 z1 x2 y2 z2 ... cell file: # cells data: ...
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0answers
140 views

Derivative of Whittaker-Shannon interpolant

Last time we looked at how to improve the accuracy of Whittaker-Shannon interpolation, where user njuffa demonstrated that judicious use of sin_pi could greatly ...
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1answer
161 views

Computing excited states using itensor (with DMRG)

I am trying to compute first few excited states of some Hamiltonian (I am using itensor and its DMRG algorithm). To do so, I am ...
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2answers
311 views

Compiled c++ code runs much faster with double than float. Explanation?

I am still rather new on here and I hope question is suitable for this forum otherwise please help me migrate it to greener pastures. I am an electrical engineer specializing in applying mathematics ...
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1answer
113 views

Automatic differentiation via ADOL-C and the Heaviside Function

I am writting a c++ program in which I define a function $$\displaystyle F(t) = \sum_{i}r_i\,H(t-t_i)$$ where $H$ is the heaviside function, $t_i$ are optimal parameters which are mutable. The ...
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88 views

Metis: how to use and tutorial recommendation

I am new to METIS and trying to use it in my fortran code. I read the manual online. But still, I am not sure about how to implement it my code. I tried the test cases in the graphs directory. For ...

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