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1500 questions
28
votes
3 answers
How should I install a Fortran compiler on a Mac? (OS X 10.x, x >= 4)
Related question: State of the Mac OS in Scientific Computing and HPC
A significant number of software packages in computational science are written in Fortran, and Fortran isn't going away. A Fortran compiler is also required to build other…
Geoff Oxberry
- 30,394
- 9
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28
votes
8 answers
Which package should I use to wrap Modern Fortran Code with Python?
I know of, and have used f2py2e to wrap some old Fortran 77 code, but my understanding is that it does not work with newer Fortran 95 code. I've researched what I should use, and have come across fwrap and G3 f2py, neither of which seem to give any…
James Tocknell
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- 7
28
votes
9 answers
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, etc.) in scientific computing. Can you suggest…
a06e
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28
votes
6 answers
How can the gravitational n-body problem be solved in parallel?
How can the gravitational n-body problem be solved numerically in parallel?
Is precision-complexity tradeoff possible?
How does precision influence the quality of the model?
Sklavit
- 383
- 3
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27
votes
3 answers
How does one test a numerical ODE solver implementation?
I'm about to start working on a software library of numerical ODE solvers, and I'm struggling with how to formulate tests for the solver implementations. My ambition is that the library, eventually, will include solvers for both nonstiff and stiff…
Tomas Aschan
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27
votes
8 answers
What software is good to use for parallel debugging?
I'm not running any parallel code right now, but I anticipate running parallel code in the future using a hybrid of OpenMP and MPI. Debuggers have been invaluable tools for me when running serial projects.
Can anyone recommend a parallel debugger…
Geoff Oxberry
- 30,394
- 9
- 64
- 127
27
votes
10 answers
Recommendations and experiences on which license to choose for software?
Developers of software have the choice to choose an appropriate license in accordance with the goal(s) of the work.
Can anyone give some recommendations/experiences on which license to pick for software?
What are the pros/cons of "giving away" all…
Allan P. Engsig-Karup
- 3,226
- 19
- 31
27
votes
6 answers
Visualizing very large link graphs
I am looking for a tool to visualize very large directional link graphs.
I currently have ~2million nodes with ~10million edges. I have tried a few different things, but most take hours to even do 100k node graphs
What I have tried:
I spent a day…
madmaze
- 371
- 3
- 6
27
votes
3 answers
What is the computational cost of $\sqrt{x}$ in standard libraries?
One of the major issues that we have to deal with in molecular simulations is the calculation of distance-dependent forces. If we can restrict the force and distance functions to have even powers of the separation distance $r$, then we can just…
aeismail
- 3,523
- 1
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- 31
27
votes
1 answer
What is the preferred and efficient approach for interpolating multidimensional data?
What is the preferred and efficient approach for interpolating multidimensional data?
Things I'm worried about:
performance and memory for construction, single/batch evaluation
handling dimensions from 1 to 6
linear or higher-order
ability to…
den.run.ai
- 637
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26
votes
4 answers
Method for numerical integration of difficult oscillatory integral
I need to numerically evaluate the integral below:
$$\int_0^\infty \mathrm{sinc}'(xr) r \sqrt{E(r)} dr$$
where $E(r) = r^4 (\lambda\sqrt{\kappa^2+r^2})^{-\nu-5/2} K_{-\nu-5/2}(\lambda\sqrt{\kappa^2+r^2})$, $x \in \mathbb{R}_+$ and $\lambda, \kappa,…
torbonde
- 491
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- 13
26
votes
3 answers
Why is the time dimension special?
Generally speaking, I've heard numerical analysts utter the opinion that
"Of course, mathematically speaking, time is just another dimension, but still, time is special"
How to justify this? In what sense is time special for computational…
Patrick
- 455
- 3
- 8
26
votes
1 answer
What are differences between 'a priori' and 'posteriori' error estimate in numerical analysis?
I have learnt about Finite Element Method (also a little on other numerical methods) but I don't know what are exactly definition of these two errors and differences between them?
Anh-Thi DINH
- 801
- 2
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26
votes
10 answers
Which algorithm is more accurate for computing the sum of a sorted array of numbers?
Given is an increasing finite sequence of positive numbers $z_{1} ,z_{2},.....z_{n}$. Which of the following two algorithms is better for computing the sum of the numbers?
s=0;
for \ i=1:n
s=s + z_{i} ;
end
Or:
s=0;
for \ i=1:n
s=s +…
CryptoBeginner
- 395
- 3
- 5
25
votes
12 answers
Is it possible to use Octave to learn MATLAB programming?
I want to learn MATLAB programming so that I can conduct some researh/analysis on my own and also, so that I can study/modify some MATLAB scripts that I have found online etc.
However, the problem is that I can't afford MATLAB. GNU Octave, from what…
Homunculus Reticulli
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