Fortran is a general purpose programming language widely used by the scientific computing community.

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How do Fotran77 and Fortran90/95 differ in performance via present-day compilers with array manipulation?

I would like to write the most optimized program for array manipulation in Fortran (e.g. matrix multiplication of large matrices, squaring large matrices, etc.) So, using the fortran compilers on the ...
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28 views

How to use QUADPACK for complex integrand with independent parameters?

I am new to fortran and wish to integrate a function using one of the standard quadrature methods contained in quadpack.f The problem is that my integrand is of a ...
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33 views

Optimization of nonlocal stencil-like operator on subset of regular grid

I am trying to optimize the execution time for this particular piece of fortran code. Details: i_gc is a (ngpts, 3) array of containing (i,j,k) indices for each grid point. This is a subset of the ...
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45 views

Incomplete Cholesky

Is there an efficient way to perform an incomplete Cholesky factorization on a symmetric positive definite sparse matrix (CSR format), in order to use it as a preconditioner for a CG solver? Is there ...
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precision loss in non-trigonometric, periodic functions using FFTW and NaNs after marching forward in time (Fortran)

I have developed a pseudospectral solver of the Navier-Stokes equations using FFTW. I tested my formulation of right hand sides (RHS) of the NS equations against standard trigonometric functions ...
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Iteratively finding both left and right eigenvectors for non-symmetric complex matrix

I have a complex, non-Hermitian matrix $\mathbf{A}$, for which I need to find a few eigenvalues and eigenvectors in the generalised eigenvalue problem: $$\mathbf{A}\cdot \mathbf{x} = \lambda ...
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1answer
76 views

OpenMP threaded nonlinear solver for complex numbers

Problem: I have translated Jacobian-Free Newton-Krylov solver written by C. T. Kelley to Fortran and now want to parallelize it on shared-memory system with OpenMP. In addition, I want to precondition ...
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439 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 ...
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62 views

How to fix time intervals to store data in a stochastic simulation (continous time markov chain)

I am using FORTRAN to implement Gillespie's stochastic simulation algorithm. I would be running many simulations in parallel (both parallel instances with different seed and parallel functions); if I ...
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3answers
327 views

Use of Java or Scala in HPC?

I was looking to brush up and/or pick up some languages for a hobby project on my free Amazon EC2, and I was going through the benchmark results for Java vs C (or Scala vs C)and Fortran vs C. It seems ...
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79 views

How in Fortran 77 or in the next standards to do a multi-column out put in a simple calculation, having a Nested loop?

I have a simple question concerning the management of the output after running a Fortran code, having a NESTED LOOP.. I want to calculate for different k=1,5,9 the value $\mathbf{Sin(kx)}$ in the ...
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44 views

Sampling from the Generalized Beta of the Second Kind in Fortran

I need to sample from the generalized beta of the second kind (GB2) distribution (McDonald, 1984, Econometrica). Its PDF has the form $$ f_{a,b,p,q}(x) = ...
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2k views

Which version of Fortran should I learn?

I'm a Mechanical Engineering student interested in the field of aerospace engineering where, I'm told, Fortran is still commonly used. Which version of Fortran should I invest my time to learn?
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Fortran library for minimization or maximization of functions (optimization problem)

I'm looking for a library or individual package which provides convenient optimization subroutine for Fortran, any suggestions? I'm testing the codes from Numerical Recipe, downhill simplex method ...
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2answers
219 views

(Fortran) Integrating/summing over complicated 3D domain

I have some function $F(k_x,k_y,k_z)$ that I wish to numerically integrate over a polygon domain - physically, I am integrating over the first Brillouin Zone (BZ) of the FCC lattice (a truncated ...
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1answer
78 views

Fortran 2003 ARPACK wrapper

I wrote a Fortran 2003 wrapper for the ARPACK routine znaupd, basically translating the the example driver routine zndrv1 into modern Fortran 2003 language with automatic arrays. I initialize every ...
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125 views

Azimuthal average in Fortran? Find indexes in Fortran?

I am working on an eigenvalue problem in fortran. I have used Lapack to solve the problem and get the eigenvalues and eigenvectors. This is done for $201\times101$ wavenumbers, only half the wavespace ...
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1answer
95 views

CUDA Fortran: Multi GPU Programming and memory allocation

I am writing a program that is supposed to use multiple GPUs on a single node using CUDA Fortran. Although I've looked through the Portland Group CUDA Fortran Reference, I am still unclear about how ...
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46 views

How much time does DSYEV take to diagonalise a $N \times N $

I have been using a DSYEV, for some time. My instructor told me to calculate how much time does DSYEV take to diagonalise a $N \times N $. I know, in our case matrix M is symmetric. Standard ...
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183 views

Using OpenMP in Fortran for common array operations

In Fortran, given arrays A(1000000) and B(1000000), and to compute the sum you simply write: C = A + B However, when I want to implement OpenMP, I have to write ...
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1answer
164 views

Pre calculate mathematical expressions in Fortran 90

Is there some flag to let the Fortran compiler pre calculate a math expression before compiling it?. I have to write expressions that contain many small 4x4 matrix multiplications. The thing is, most ...
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214 views

Lua and Fortran (or Python) I/O

I am writing a global climate simulation software system. My idea is the following : At the top of everything, I interface to the OS using D, a very powerful language for compile time code ...
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85 views

F2Py with allocatable and assumed shape arrays as callback arguments

I would like to use f2py to overload some fortran subroutines in my main fortran program by python methods. Some of these subroutines receive an assumed shape array. I have found here how to make ...
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2answers
293 views

CFD absractions in Modern Fortran

I'm a novice in object-oriented programming, but this design technique seems very interesting for me. I have a Fortran 90 CFD package , not very complex, but it is already very hard to maintain and to ...
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56 views

Compiling HSL_ME57 and interfacing with C code

Has anyone here had any success (or at least tried) compiling the HSL_ME57 (or similar such as MA57, etc.) matrix factorization libraries? Do any C wrappers exist for the Fortran function calls? I'm ...
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287 views

Fortran 90/95: Deallocating variables

I understand the crucial importance of freeing memory when certain variables or arrays need to be reused later in the program, or may not be in use for a while. However, in my experience with ...
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577 views

MPI_ERR_TRUNCATE appears for no understandable reason

I am developing some parallel CFD code using Fortran 90 and OpenMPI. The processes are structured into two groups such that half perform a certain type of calculations (let's say Velocity, Pressure ...
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74 views

Molecular Dynamics : Phase transition Lennard Jones potential

I'm doing molecular dynamics of $N$ bodies interacting through Lennard-Jones potential. I'm studying the hysteresis phenomena in the phase transition solid-liquid and liquid-solid. Which parameters ...
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129 views

Molecular Dynamics: Diffusion with PBC

How can I implement the computation of the diffusion coefficient $D$ using periodic boundary conditions (PBC)? I use molecular dynamics of a set of $nboby$ particles with positions $pos(3,nbody)$ in ...
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85 views

Heuristic help with preconditioning large system ODEs

I'm looking for some general insight on preconditioning. In particular, relevant references/resources/comments would be greatly appreciated. Note, I have been through some of the literature, but am ...
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Why would this a pair of E5-2670 cpus be faster than 4 E5-2640 cpus for large matrix diagonalisation problems?

Not really much more to say; Of several computers available for use, these are two of the larger ones; one has 2x E5-2670, and the other has 4x E5-4640. The problems we're looking at essentially boil ...
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2answers
194 views

Python like generic List in Fortran [closed]

I like to have a list just like in Python, but for Fortran. I know that there is a generic list type. But here I would have to define a type for each data I would like into the list, e.g. one for ...
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113 views

'Varargin' in Fortran

Consider the following: I would like to solve a differential equation in Fortran (with a Runge-Kutta routine), e.g. x'=-a*x, where ...
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Python vs FORTRAN

Which one is better: FORTRAN or Python? And I guess that in both cases you need Gnuplot, am I right? I'm working on a Windows machine at the moment. I'd like to use it to get numerical solutions for ...
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338 views

Newton-Raphson method fails!

I am trying to solve an equation like $R(x) = 0$, using Newton-Raphson method. To obtain the $x$ increment in each iteration I solve $dx = -(A)^{-1}\cdot R$ where $A = dR/dx$. But the convergence ...
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324 views

How to solve a Linear Matrix Equation: AX-XA=B efficiently?

recently I have been working on solving some math problems using Fortran. There occurs to me that a linear matrix equation: $$ AX-XA=B $$ where $A$ and $B$ are known $n\times n$ matrices and $X$ is ...
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355 views

Parallel 2d heat equation (implicit timestepping) using MPI

I am trying to solve the time dependent heat equation with backward euler timestepping and second order space finite differences. This results in a Poisson system needing to be inverted. In serial ...
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1answer
288 views

2-body problem with Fortran 95

I am trying to implement the N-body problem using Fortran 95. Before generalizing it to N bodies, I am first trying to calculate the motion of a single orbiting body (body 2 in my code below) around a ...
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130 views

How to design a Hessian Algorithm based on Gradient Algorithm?

I have a question which I think should be pretty simple. I have written a subroutine in Fortran which will compute the Gradient at a point of the form ...
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2answers
824 views

Stop process from continuing until others have finished MPI

I am looping an array using MPI. The problem is, i think that some processes are moving onto their next iteration before other precesses have finished theirs. This is causing me problems because data ...
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136 views

How can we visualize the data in polar coordinates using openDx?

Actually I am trying to visualize data in polar coordinates using openDx but openDx always does in Cartesian coordinates i-e in box shape I want circular shape of my data. I want the data ...
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430 views

Lid driven cavity flow problem to solve with the help of projection method and use coding in fortran 90 [closed]

I want to solve Lid driven cavity flow with the help of projection method i want to make own fortran program to solve two dimensional unsteady flow. I propose to solve the equations in the following ...
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1answer
2k views

Fortran, making a more efficient bilinear interpolation

I'm trying to write an efficient bilinear (2D)-interpolation, after reading some recipes, as a fortran-mex for Matlab that is used extensively throughout a long algorithm of solar image processing, ...
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1answer
269 views

how to use lanczos code from netlib for large sparse symmetric matrix?

I want to use lanczos method to calculate the few lowest eigenvalue and eigen-vector of a large sparse symmetric matrix(~50k x ~50k). In http://www.netlib.org/lanczos/index.html I found the codes ...
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376 views

Need Fortran 77 compiler

Does anyone know a compiler for Fortran 77 available as a free download? I have pre-written 77 code from a source published in the early 90's that I just need to compile, build, and run. But I don't ...
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447 views

Eigenvectors: Mathematica vs. LAPACK dgeev

I've been using LAPACK dgeev in FORTRAN in the last months spending hours to diagonalize ~4000*4000 matrices. It takes about 2'75 hours to find eigenvalues and ...
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655 views

what is difference “DSYEV(LAPACK SUBROUTINE)” and “Lanczos”?

I am working on Fermion and Boson Hubbard Models, in which the dimension of Hilbert Spaces are quite large (~50k). Because the Hamiltonian matrix is ~50k X ~50k, to diagonalize these big sparse ...
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Learning Fortran

I was wondering what is the best way to learn how to program in Fortran ? I've been looking for books, the examples that seemed OK to me were "Fortran 95/2003 Explained" and "Fortran For Scientists ...
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1answer
543 views

Generalized Singular Value Decomposition: only compute the r largest singular values

I want to compute the Generalized Singular Value Decomposition for sparse matrices with a size of up to 1000000 x 1000000 (not necessarily square). The method is going to be used in machine learning ...
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2answers
205 views

Programming with Fortran, large eigen value problem

I use matlab/fortran to deal with some large eigenvalue problem (FEM type). For example, I use spalloc and eigs to declare and solve the problem in Matlab, could anyone give some advice on how can I ...