# All Questions

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### How to Run MPI-3.0 in shared memory mode like OpenMP

I am parallelizing code to numerically solve a 5 Dimensional population balance model. Currently I have a very good MPICH2 parallelized code in FORTRAN but as we increase parameter values the arrays ...
3k views

### Comparing Jacobi and Gauss-Seidel methods for nonlinear iterations

It is well known that for certain linear systems Jacobi and Gauss-Seidel iterative methods have the same convergence behavior, e.g. Stein-Rosenberg Theorem. I am wondering if similar results exist for ...
333 views

### Operator Splitting methods for DAEs

After doing some research, I've found that most of the literature on operator splitting methods (e.g. Strang Splitting, Fractional Step, etc.) are specifically designed for a standard problem type of ...
3k views

### Optimized open source BLAS / LAPACK package

I was wondering what is a more optimized open source BLAS/LAPACK package with respect to modern multi-core processors (Haswell and beyond). Is there any distribution that can attain performance close ...
510 views

### Fast Eigenvalue and SVD Solver for Structured Matrices

I am looking for a fast Eigenvalue and SVD solver for small dense structured matrices (Hankel and Toeplitz). I have searched for efficient implementations in libraries like MKL but I am not able to ...
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### Choosing how many iterations to use in VEGAS

I'm using VEGAS integration, specifically the GSL implementation, for some QCD calculations, and I've been investigating the behavior of the algorithm for various numbers of iterations in an attempt ...
124 views

### Is a complete bacteria simulation with an exascale supercomputer possible?

Will it be possible to simulate a complete (at least simple) bacteria atom by atom on an exascale supercomputer? or is it possible already today with the largest systems? Here, I've read that ...
113 views

### fastest way to compute many small dot products

I have two n-by-3 blocks contiguous in memory ("n vectors of length 3") and I'd like to compute the dot product between each of the rows as fast as possible. In numpy, using ...
145 views

### How to check if my stiffness matrix is correct

I built the stiffness matrix for the Poisson equation on a 2-dimensional domain with the shape of "almost" an octagon, using pyramid basis functions. I used almost to intend the fact that I have an "...
115 views

### “Geometry of ill-conditioning” for least-squares problems

It is an idea that dates back to Demmel, 1987 that the condition number of a problem is often related to the distance to the closest ill-posed problems. In Section 3 of the above paper, the author ...
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### Implementation of Lanczos method that returns tridiagonal matrix

The Lanczos method can be used to obtain extremal eigenpairs of sparse symmetric or hermitian matrices. I know there are several implementations of the Lanczos method (as well as Arnoldi, Davidson, ...
66 views

### Why not use the preconditioned residual as termination criterion for preconditioned CG?

I have a Poisson equation with wildly varying material parameters (1 .. 1000), wildly varying element sizes (5 nm .. 100 um) and some quite anisotropic (tetrahedral) elements (100 nm x 100 um). I use (...
71 views

### Quadrature methods for peaky integrands

Consider $$I = \int_{-L}^L f(x)dx,$$ where $f(x)$ is real-valued and analytic on $[-L,L]$, but it has a pole in the complex plane whose real part lies in $[-L,L]$. Call it $z_0$, and assume it is a ...
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### Will penalty-augmented stiffness matrix cause numerical issues in eigenvalue analysis?

In the finite element method, we often construct the constraints of the system by adding penalty-function terms ( which often are many many magnitudes, up to $10^6$ order bigger than the largest ...
### Compute sparsity pattern of $A^2$
Suppose we have a sparse matrix $A$. Is there any way to compute just the sparsity pattern of $A^2 = A \cdot A$ (I do not actually need to know what exactly the nonzero value are) faster than to ...
Let $A\in \mathbb{R}^{n\times n}$ be symmetric positive semidefinite, and $B\in \mathbb{R}^{n\times n}$ be symmetric positive definite. Suppose $B$ is block diagonal so it is easy to invert. (We ...