Questions tagged [software]

Questions about libraries and standalone software designed or well-suited for scientific or numerical calculations.

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165
votes
8answers
132k views

Recommendations for a usable, fast C++ matrix library?

Does anyone have recommendations on a usable, fast C++ matrix library? What I mean by usable is the following: Matrix objects have an intuitive interface (ex.: I can use rows and columns while ...
9
votes
1answer
2k views

PDE discretization with the method of rothe and the method of lines (Modular implementation)

The Heat equation is discretized in space with FV (or FEM), and a semi-discrete equation is obtained (system of ODEs). This approach, known as the method of lines, allows to easily switch from one ...
25
votes
5answers
712 views

Is there software that can autogenerate numerically-accurate floating point C routines from symbolic formulae?

Given a real function of real variables, is there software available that can automatically generate numerically-accurate code to calculate the function over all inputs on a machine equipped with IEEE ...
12
votes
1answer
376 views

For software submitted to ACM TOMS, how does the ACM software license agreement interact with other licenses?

The journal Association for Computing Machinery Transactions on Mathematical Software (ACM TOMS) publishes many articles on numerical algorithms that include software implementations. According to ...
4
votes
1answer
2k views

Partial trace algorithm (original)

In general, is there a partial trace algorithm (ideally for systems of any size) that can be coded using basic matrix operations found in software like Mathematica or Maple? All of the methods I'm ...
3
votes
1answer
266 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 functions"...
47
votes
8answers
2k views

What are good ways to document scientific software?

Many times, when I've inherited or encountered scientific code written by other people (or occasionally, even my own work), I've noticed that documentation is either sparse or nonexistent. If I'm ...
29
votes
9answers
2k views

What is a good way to run parameter studies in C++

The problem I'm currently working on a Finite Element Navier Stokes simulation and I would like to investigate the effects of a variety of parameters. Some parameters are specified in an input file ...
17
votes
5answers
3k views

Is there a good, easy-to-use, high quality open source CFD solver out there?

My thesis is on developing numerical methods for model reduction in combustion. I run my methods purely on the chemistry part of combustion simulations, and I have plenty of case studies for 0-D ...
18
votes
5answers
6k views

State of the Mac OS in Scientific Computing and HPC

Back towards the dawn of OS X, there seemed to be a great deal of hubbub, at least in the Mac world (I was nowhere near scientific computing at the time) about the Mac OS as a platform for scientific ...
5
votes
5answers
347 views

Will MPI continue to be a popular basis writing scalable massively parallel solvers on future many-core CPUs? [duplicate]

Possible Duplicate: What programming paradigms should I be investing in if I want my code to run on petascale machines in the future? Having entered the multi-core era (som already refers to as ...
6
votes
1answer
911 views

The speed and memory requirement of minpack

I am considering minpack software package to solve my optimization problem ( this is the kind of question that I am facing), but I don't quite know what is the memory requirement and the speed of this ...
3
votes
2answers
2k views

Survey on automatic structured mesh generation tools

I would like to gain knowledge on available free or commercial tools to generate automatically structured mesh from geometry, particularly quadrilateral. Which options do I have ?
11
votes
5answers
340 views

Increasing the archival longevity of code

Is there a published list of best practices to ensure longevity of code, with an eye towards reproducible scientific results? (e.g. open source, documentation practices, selecting dependencies, ...
6
votes
2answers
6k views

Recommendations for a usable, fast Java matrix library?

This complements an earlier question on usable, fast C++ matrix libraries. I've looked at the Java Matrix Benchmark, and it seems like the performance of java matrix libraries is all over the place. ...