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0answers
13 views

GAMS AND C++ CONNECTION [on hold]

I wrote a optimization model in GAMS and I want to solve the same model with about 100 different data. Instead of inputting the data one by one by hand, I need to do it with a for loop on C++. Is it ...
9
votes
4answers
448 views

Modern C++ in scientific computing?

I am looking for books or articles, or blog-posts, or any published material in general, that address specifically the uses of C++ modern features (move semantics, the STL, iterators, lazy evaluation, ...
2
votes
1answer
75 views

Recommendation for C/C++ library which offers Schur complement functions?

I need to find C/C++ libraries which offer function for computing Schur complement. I know about MUMPS and Pastix, but I need more of them to compare them in my research. Do you have any experience ...
1
vote
1answer
32 views

Interpolation using compactly supported radial basis function

I have been struggling for two days with the following problem. I would like to do a $d$-dimensional interpolation over some data. I tried first to use polyharmonic splines, but when the size of data ...
2
votes
2answers
91 views

C++ Library: What is the common libraries that do polynomial arithmetic?

I need to know what libraries (in C++) support polynomial arithmetic specially over a field. So I can give to it an array of coefficients of polynomial over a field and it returns the roots of ...
2
votes
0answers
82 views

C++: How to find the roots of polynomial modulus N [duplicate]

I need to know what library, given a vector of coefficients and modulus N return the roots of polynomial modulus N. The library should support big integer. I'm coding in C++.
4
votes
3answers
107 views

Minimization of non-linear function

Problem Summary I am trying to estimate the (x,y) coordinates of each node in a graph, where I know the distances between connected nodes. For example Given this ...
1
vote
1answer
44 views

C++ - Starting paraller instances of an executable from a C++ code

Can I start parallel run of LAMMPS from inside a C++ code. Is it possible to compile my code and then do mpirun with my compiled code. I also have one system command inside the code, which starts ...
-1
votes
1answer
74 views

How to solve this differential equation using RK4 in C++?

How to apply these equation using second order DE using RK4 in c++ and how top plot a graph with it?? ...
0
votes
1answer
50 views

Why is MPI/PETSc only showing 1 processor even though it works for helloworld?

I am a beginner with Unix and MPI. For the serial program, I run the program by typing make in /directory/buildagain and then ...
1
vote
2answers
93 views

Parallelization of element-wise matrix multiplication

I use Armadillo as an interface to OpenBLAS. In my current program, I have a loop, in which I do multiplications of the form ...
0
votes
0answers
39 views

Elemental vs DPLASMA

I want to use one of these two libraries into my C++ project to basically invert a dense matrix (with Cholesky). Of course, I am interested in a distributed environment. Both libraries seem nice so ...
6
votes
6answers
1k views

Super C++ optimization of matrix multiplication with Armadillo

I'm using Armadillo to do very intensive matrix multiplications with side lengths $2^n$, where $n$ can be up to 20 or even more. I'm using Armadillo with OpenBLAS for matrix multiplication, which ...
3
votes
1answer
148 views

Software for triangulating a point set (with restrictions)

I want to triangulate a point-set like the one below. I would like the triangulation of the point-set to have the following properties The triangles must have as vertices the black and orange ...
0
votes
0answers
26 views

Solving the Wilberforce pendulum using Runge-Kutta method [duplicate]

I'm writing a program in C++ (almost from scratch) for solving the coupled equations that rise from the Wilberforce pendulum: $m\ddot{z}+kz+\frac{1}{2}\epsilon \theta = 0$ $I\ddot{\theta}+\delta ...
1
vote
1answer
220 views

eigenvalues of a general complex matrix in C++

Is there a free C or C++ library including a routine for the eigenvalues of a general complex matrix? I checked a number of linear algebra packages like Eigen, but there does not seem to be support ...
0
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0answers
62 views

Sparse MatrixExp acting on a vector

I am looking for a library implemented in C++ which would be able to compute action of matrix exp on a vector $$w = e^{A}v$$ I want to operate on sparse matrices with complex entries, not on real ...
3
votes
2answers
112 views

Why is SIMD programming on such a low level in CPU's compared to GPU's?

Just speaking from my experience in c++ - Its really tricky to take advantage of the SIMD capabilities of modern CPU's for more complex algorithms. If I see an opportunity from a high level OO ...
5
votes
1answer
959 views

Applying the Runge-Kutta method to second order ODEs

How can I replace the Euler method by Runge-Kutta 4th order to determine the free fall motion in not constant gravitional magnitude (eg. free fall from 10 000 km above ground)? So far I wrote simple ...
2
votes
1answer
71 views

Mathematica NIntegrate function in C++

I am working on computing a challenging integral. I am working with someone else who wrote some code in Mathematica to compute it. I do not have mathematica so I am trying to do the same thing in C++. ...
3
votes
2answers
440 views

literature on scientific computing

Maybe, this is a dump question. But anyway. I developed a finite difference code for a class of problems in dynamo theory. I used GNU Octave (MATLAB) which is good for testing. The problem size ...
0
votes
0answers
68 views

Compute left and right eigenvectors in c++ using Eigen library

The zgeev routine of the Lapack library computes the eigenvalues and left and/or right eigenvectors of a given matrix. I want to use c++ and the eigen library to do the same. A ...
0
votes
1answer
239 views

Order of eigenvalue problem using c++ Eigen library

I have the following 6x6 matrix (taken from Google Books p. 129): For background info: All the entries depend on the momentum $k$. Getting the eigenvalues of this matrix for each $k$ corresponds to ...
2
votes
0answers
43 views

Bracket Algebra, Straightening Algorithm

My apologies if the question is simple. I need to write a code for straightening algorithm. Which includes defining bracket algebra. I tried to write it in CoCoA-5, but it wasn't possible because ...
1
vote
0answers
58 views

Get a single value from a global Vec in petsc [closed]

I don't understand the concept with local and global vec's in petsc when it come to DMDAVecGetArray and VecGetValues. I'm creating some DMDA Vec in parallel which works well. Now I want to access ...
2
votes
1answer
82 views

What are the tradeoffs of using statically allocated arrays vs. pointers and dynamic allocation? [closed]

I am learning Monte Carlo simulation by C++. I begin with reading codes (from the internet and text books) of the 2D Ising model and the XY model. I find some people define spins simply by a two ...
0
votes
1answer
42 views

Unexpected behavior, values tend to converge instead of fluctuate. (MD)

I am writing a molecular dynamics program to create an lattice and populate it with atoms/molecules. These then are given random velocities and the system is initialized. Then throughout time the ...
-2
votes
1answer
58 views

Simulating dipoles/quadrupoles

Does anyone know how to simulate in C++ the beam-dynamics of particles passing through an array of magnets like a quadrupole + dipole ? Or maybe in the thin lense approximation how to simulate a FODO ...
1
vote
1answer
45 views

LAPACK DGGEVX: BALANC option

I'm using DGGEVX routine from LAPACKE with BALANC option as shown below, but to my surprise changing BALANC option from 'N' to ...
0
votes
1answer
65 views

How to give a simple estimation of errors for results obtained from 4th order Runge-Kutta

This question is a follow up of another one I have asked a while ago. I have successfully implemented my problem using odeint library and I get the results I expect. However I would like to give an ...
1
vote
1answer
259 views

Parallel vs Serial Thomas Algorithm

I am currently writing a code that solves a large tridiagonal matrix every iteration and runs for 1,000's of iterations. I am currently using a Thomas algorithm to solve the matrix serially. I found a ...
0
votes
0answers
112 views

Can you provide me with the source code of DMRG writen by C++?

I want to study the Density matrix renormalization Group(DMRG). Can some one provide me with the souce code which is writen by C++ for study purpose only? The code is not necessiary very professional, ...
3
votes
5answers
150 views

Speed of solving linear system with block diagonal matrix

I have a bunch of 3x3 linear systems of the form $Ax=b$. In general, would it be faster to solve each individual system, or to formulate it as a giant block diagonal system and solve that? I expect ...
0
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0answers
53 views

Debugging in parallel mode using Netbeans

I want to debug a c++ code with Netbeans. I can use the debugger in sequential mode but I dont know how to debug it when I want to run it in parallel. I would be grateful if anyone help me on this ...
0
votes
0answers
87 views

Eigen vector property: MATLAB 'chol' (LAPACK DSYGV) & MATLAB 'qz' (LAPACK DGGEVX)

Two Eigen algorithms return Eigen vectors with different properties: 1st algorithm, LAPACK DSYGV (the same as MATLAB eig with ...
0
votes
2answers
103 views

Simulating a traveling sine wave

I'm trying to make an animation of a travelling sine wave (amplitude vs. position) would anyon here happen to know how to do so?
2
votes
1answer
108 views

non-smooth convex c++ solver

I happened to know that there are advanced established techniques for non-smooth convex optimization in research. For example, these two papers: Nesterov, "Smooth minimization of non-smooth ...
0
votes
0answers
260 views

Eigen-unsupported: Levenberg - Marquardt algorithm

I am using Eigen-unsupported: LevenbergMarquardt algorithm. I use this algorithm inside my model. I wrote the minimization code both in MATLAB (using fsolve) and C++ and both gave the similar results ...
1
vote
1answer
260 views

How can I call the Boost C++ odeint Runge-Kutta integrator for a system of ODEs?

I would like to use Boost C++ odeint Runge-Kutta integrator on a system that looks like this : $$\ddot x = - \frac A{||x||^3} * x $$ $ x $ is a vector in 3D space, so basicaly $ x(i, j, k) $ $ ...
-2
votes
1answer
98 views

Solving electron density function for Hydrogen and drawing in 3D

I recently stumbled upon interesting site that has interactive 3D representation of radial electron distribution (atomic orbital). here is the url: ...
3
votes
1answer
64 views

Computing the (non-convex) boundary of a set of paths between two points

I have a set of paths between two fixed points (marked in red below). Each of these paths consists of an ordered series of $\{x, y\}$ points (marked in blue). I am trying to find the ordered set of ...
3
votes
2answers
661 views

Programming Finite Element Methods in C++

I am trying to develop a library for finite element methods in C++ and for that I am looking at the data structures for meshes. Based on what I've read up on fenics and deal.ii, the general ...
0
votes
1answer
226 views

Domain Decomposition with PETSc

Does anyone have any experience on Domain Decomposition using PETSc library? I have used PETSc for creating my vectors and matrix within my C++ code. I also used KSP to solve the linear system. I ...
0
votes
0answers
25 views

Cardiac Excitation Threshold in C++ modelling

So I am trying to write a code in C++ about the cardiac excitation threshold. I know that this excitation threshold is the shortest stimulus2 value at which it can conduct an action potential (known ...
0
votes
0answers
185 views

total memory usage of MPI shared memory

I am trying to use the MPI share memory feature. I have several SMP nodes, and each of them has four cores. I need an array of size N for each node that should be accessed by all four cores in each ...
1
vote
1answer
172 views

Windows C++ library for operations on mesh with a mex-interface in Matlab?

Please recommend me a well documented C++ library that I could wrap with a mex-interface in Matlab. The library should have the capability to read meshes (optimal in different formats, at least in ...
0
votes
0answers
35 views

Sequence optimization for multithreading

Given a list of object I must compute an expensive operation on any couple of object of the list. So I need to create a sequence of tasks. I want to find the sequence of tasks such that there is the ...
0
votes
2answers
91 views

How to determine the number of c points in algebraic multi grid

I am trying to write an algebraic multi-grid solver (in c++). At a given level I determine which nodes are c-points and which nodes are f-points (where the total number of c and f points equals the ...
5
votes
2answers
741 views

Should I pass command line arguments to MPI_Init or not?

When writing MPI 3.0 code, should I pass argc and argv to the MPI_Init call or not, and why? ...
0
votes
1answer
123 views

Fastest linear solver for sparse positive semidefinite, striclty diagonally dominant matrix

What is the state of the art for fastest linear solver for sparse, positive semi definite and strictly diagonally dominant matrix with N varies from ~700 to ~3000, and about a 1/16 of the matrix is ...