The study of solving computational problems by exploiting the use of multiple processors simultaneously.

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Fast way to compute all eigenvalues of a dense Hermitian matrix

I am finding the eigenvalues of dense NxN Hermitian matrix which is calculated from a density operator in quantum physics. All the eigenvalues are needed as I need to calculate the sum of the absolute ...
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1answer
28 views

Solving a problem using multiple threads using CLP

Is it possible to run Clp on multiple threads using Julia and JuMP?
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1answer
84 views

How does matrix-matrix product scale with multiple CPUs?

These days, one can have 64 cores in a single node. I wonder how well the dense matrix-matrix product (SGEMM and DGEMM) scales ...
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1answer
92 views

Python: Multistart optimization using parallel programming

[I previously asked my question on StackOverflow but this site may be more appropriate] In Matlab, I am currently using the MultiStart as an optimization algo in a parallel setup for a computer ...
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1answer
72 views

Maxwell vs Kepler for GPU computation

I am looking at the Nvidia GT-860M which comes in both the old Kepler and new Maxwell architecture. The old one (1152) seems to have almost twice the cores as the new one (640). The new one has a ...
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2answers
125 views

C - OpenMP, MPI, Serial Program

I'm part of a Computational Science course and come from a non-programming background, so please forgive me my ignorance. I'm working on a set of code in C to numerically solve the Navier Stokes ...
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2answers
67 views

Local versus remote development

I know there are similar questions asked on other StackExchange sites, but I think development in Computational Science may work differently because of the computing environments that are common. I ...
3
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1answer
72 views

Threaded QR with column pivoting

My program needs to perform pivoted QR decomposition on tall (e.g. 1e9 by 100) matrices. I run into the bottleneck that the major computational time of my program is spent on doing serial pivoted-QR ...
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0answers
72 views

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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4answers
102 views

Removing non-determinism from molecular dynamics code

I've been looking through the other answers, and I haven't found a good answer yet. I'll describe the simulation I am running, and then the problems. The program simulates particles undergoing ...
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0answers
74 views

How to solve sparse linear systems using CPUs and GPUs?

There are several libraries to (iteratively) solve large sparse linear equation systems in parallel on a number of CPUs. Our parallel cluster also has attached powerful GPUs, but so far, I did not ...
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3answers
166 views

Scripting for High Performance Computing

I would like links to resources which provide codes for scripting (preferably in python) for high performance computing. I'm looking for sample codes and examples which can, (1) automatically create ...
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1answer
94 views

Is it possible to simulate fluid dynamics in a time-based and deterministic manner?

The Problem Domain I have a number of network-connected PCs. I want to be able to simulate and replicate the same simple fluid dynamics simulation (E.g. Navier-Stokes), in real-time, between them. ...
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419 views

GPU Computing: Which GPU Brand and Type gives best value for money?

Recently I started to get interested in GPU-computing. I am considering buying a GPU and am inclined to buy an NVIDIA GPU since this allows for coding in both OpenCL and CUDA. But is NVIDIA really the ...
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3answers
192 views

Dense distributed matrix

A dense matrix is distributed for parallel computation column-wise, then multiplied from left & right by sparse matrices. What would be appropriate c++ libraries for these tasks?
3
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1answer
149 views

Best incremental multidimensional Delaunay tessellation algorithm

I'm looking for a specific type of Delaunay tessellation algorithm. The algorithm should be: incremental so that I can add new sites inside known simplexes (i.e. no searching for the right simplex ...
2
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1answer
61 views

Installing GPAW (Python DFT package) on a computing cluster

I'm in the middle of installing GPAW on a cluster but I'm running into problems building the "gpaw-python" interpreter, its job is to allow users to execute parallelised GPAW calculations. Following ...
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2answers
124 views

Why is computational cost measured in Floating Pt. Ops. in times of parallel computing?

In times of parallel computing, it seems to me that algorithms (also basic ones, like matrix-vector multiplication) should be measured by their dependent steps (that use results from steps before) ...
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0answers
38 views

BLACS context value and multiple MPI communicators

I am reposting here a question previously asked in stackoverflow: as suggested in a reply to my question, scicomp could be a better place to obtain some useful comments/suggestions for my problem. I ...
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5answers
216 views

Is discontinuous Galerkin really any more parallelizable than continuous Galerkin?

I've always heard that easy parallelization was one of the advantages of DG methods, but I don't really see why any of those reasons don't also apply to continuous Galerkin.
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3answers
95 views

Leave openMP theads ready

I have a C++ program that has a double for loop that I'd like to parallelize using opeMP. It is simple (a polynomial product) of varying length (between 100 and ...
3
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1answer
97 views

Increasing thread number degrades performance

I have a problem with parallelization and the brownian dynamics (molecular dynamics) code that I am using. We have our own home-grown framework at the university, and recently we've made the change ...
2
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1answer
70 views

Optimizing MPICH2 on FX 9370 processor

Short version of question: We have a Opteron 6272 cluster, an we have recently started bilding FX 9370 based small cluster. Problem is that we are not able to get desired speed, i.e scaling with ...
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3answers
230 views

Does IBM LSF facilitate parallel computing?

I have been browsing through the documentation of the IBM Platform Load Sharing Facility, to find out if it supports parallel task computing. Below is what I think is relevant for this question, ...
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154 views

Is there a general framework for solving PDEs on uniform grid in parallel

Hej, I want to simulate a partial differential equation (a modified Cahn-Hilliard equation, but the details do not matter much. The questions also applies to the diffusion equation). I'm looking for ...
2
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1answer
101 views

Multiple independent random number streams

Having multiple streams of pseudo-random numbers known to be independent and with a uniform distribution I want to do Monte Carlo simulations in parallel. In other words, one thread will have a ...
3
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1answer
128 views

Inverting many small matrices in parallel

I am trying to find a good way to handle the following problem: Let C be an N by 3 array (corresponding to points in $\mathbb{R}^3$). There is a method I am interested in testing which requires ...
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1answer
206 views

Masters in HPC (High Performance Computing)

Is there a master degree in HPC (High Performance Computing) in US? I am asking this question because in my early research I found no direct mentioning of HPC instead invidual courese in parallel ...
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4answers
330 views

Best PARALLEL numerical solver of first order differential equation

I have a system of 256 differential equations that I want to solve numerically. The system represents the Liouville equation, which is a first order, linear differential equation with complex numbers. ...
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2answers
199 views

openmp update matrix from neighboring elements (parallelise preconditioner)

Issue of data dependency with stencil code... How to parallelise this using openmp? I looked at the openmp manual, I figured out how to use DO ORDERED to get the same result as the serial version, ...
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1answer
201 views

Exploiting parallelism within a single heterogeneous computing node

I'm looking for a library to exploit parallelism within a single heterogeneous computing node (possibly using Accelerators like Xeon Phi or nVidia's GPGPU's) in a C++ FV/DG code using hierarchical ...
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3answers
226 views

GPU libraries to use for Linear Algebra operations

I am looking for GPU libraries to accelerate a code I have, whose primary "high performance" regions have singular value decomposition, QR factorization and Eigen values, Eigenvectors computation. I ...
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2answers
221 views

Why performance is given in Gflop/s rather than actual time in seconds

While reading many research-papers comparing parallel implementations of algorithms on different machines/architectures, I have noticed that the performance comparison is always listed in terms of ...
6
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3answers
332 views

Any recommendations for unit-testing frameworks compatible with code/libraries that use MPI?

Usually, I write serial code, and when I do, I write unit tests with some xUnit-style testing framework (MATLAB xUnit, PyUnit/nose, or Google's C++ testing framework). Based on a cursory Google ...
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4answers
161 views

Computational science contests. Why arent there any?

I was wondering why there are no online or offline computational science contests? At least I couldn't find much by googling. I mean, like a topcoder for computational sciences. I assume one reason is ...
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523 views

When is MPI_Wait necessary for non-blocking calls?

I hope this is not too off-topic here -- I've asked it on SO but I'm hoping I'll get better answers here! I'm a little bit confused about when I should call MPI_Wait (or other variants such as: ...
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0answers
58 views

Computational science and related energy research [closed]

I want to understand how energy related researches benefit from computational science. I have work on large scale computing and thus curious to know how I can use my skills in renewable and ...
10
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1answer
218 views

Is there some good mailing list for `Computational Science`?

I am wondering whether there is some very good mailing list or google groups for Computational Science, where we can discuss questions instead of only asking and replying questions. In fact, I am ...
7
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1answer
130 views

MPI policy for multiple asynchronous transfers

What is the policy of multiple overlapping asynchronous transfers in MPI? I have a program with several open asynchronous irecv operations. I find that transfers ...
7
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1answer
273 views

Solving a large non-hermitian generalised eigenvalue problem from a linear stability analysis using SLEPc

I have a generalised matrix problem: $A x = \lambda B x$ from a spectral method on a linear stability analysis problem. My matrix B is diagonal and positive semi-definite. A is non-hermitian and ...
7
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1answer
173 views

What are the differences between Parareal, PITA, and PFASST?

The Parareal, PITA, and PFASST algorithms are all across-the-domain techniques for parallelizing the solution of time-dependent problems in time. What are the guiding principles behind these ...
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1answer
50 views

Can you give me a detailed description of (spetral) deferred correction method?

I have just read "Accelerating the convergence of spectral deferred correction methods". The link is here: http://www.unc.edu/~junjia/papers/sdcgmres.pdf‎. But I wonder how to understand deferred ...
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3answers
278 views

Performance optimization or tuning possible for Scalapack Gemm?

I'm comparing the performance of distributed gemm, using Scalapack over OpenBLAS, with threaded gemm, using OpenBLAS. It seems quite hard for me to get scalapack to give better results than ...
1
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1answer
170 views

What kinds of size of matrix A that CHOLMOD can solve Ax=b

CHOLMOD is very fast, but I am just wondering what kinds of size A such that it can solve Ax=b. I have a A of 200,000 * 200,000, but it outputs errors" problem too large". I am very appreciated if ...
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2answers
212 views

How to make Elemental Gemm run quickly?

How to make Elemental Gemm run quickly? I have the following code: ...
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1answer
66 views

How to convert a Matrix to a DistMatrix in Elemental?

I have a Matrix<double> on a single core, the result of doing an MPI_Reduce. I want to do the Cholesky, so I need to ...
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2answers
471 views

What's the state of the art in parallel ODE methods?

I'm currently looking into parallel methods for ODE integration. There is a lot of new and old literature out there describing a wide range of approaches, but I haven't found any recent surveys or ...
3
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1answer
103 views

Optimal Scheduling of Parallel Tasks with Known Dependencies

This is maybe a trivial question, but I am stuck with the problem. Suppose we have a general graph: $$G=(V,E)$$ Each edge represents a task, each vertex represents a data for the task (hence each ...
4
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1answer
229 views

Libraries for distributed-memory Cholesky factorization?

What libraries can compute dense Cholesky factorizations in distributed-memory environments (preferably using MPI). I'm using C/C++, and have access to a cluster of between 1 and 40 nodes, where each ...
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1answer
87 views

Does scalapack need threaded or unthreaded blas?

I'm compiling a blas to use with scalapack. Some blases, such as openblas, are naturally multithreaded, but scalapack uses mpi, so maybe needs a single-threaded blas? My questions then are: does ...