LCG MCDB—a knowledgebase of Monte-Carlo simulated events

In this paper we report on LCG Monte-Carlo Data Base (MCDB) and software which has been developed to operate MCDB. The main purpose of the LCG MCDB project is to provide a storage and documentation system for sophisticated event samples simulated for the LHC Collaborations by experts. In many cases, the modern Monte-Carlo simulation of physical processes requires expert knowledge in Monte-Carlo generators or significant amount of CPU time to produce the events. MCDB is a knowledgebase mainly dedicated to accumulate simulated events of this type. The main motivation behind LCG MCDB is to make the sophisticated MC event samples available for various physical groups. All the data from MCDB is accessible in several convenient ways. LCG MCDB is being developed within the CERN LCG Application Area Simulation project.

Program summary

Program title: LCG Monte-Carlo Data BaseCatalogue identifier: ADZX_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADZX_v1_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions: GNU General Public LicenceNo. of lines in distributed program, including test data, etc.: 30 129No. of bytes in distributed program, including test data, etc.: 216 943Distribution format: tar.gzProgramming language: PerlComputer: CPU: Intel Pentium 4, RAM: 1 Gb, HDD: 100 GbOperating system: Scientific Linux CERN 3/4RAM: 1 073 741 824 bytes (1 Gb)Classification: 9External routines:

•

perl >= 5.8.5;

•

Perl modules

○

DBD-mysql >= 2.9004,

○

File::Basename,

○

GD::SecurityImage,

○

GD::SecurityImage::AC,

○

Linux::Statistics,

○

XML::LibXML > 1.6,

○

XML::SAX,

○

XML::NamespaceSupport;

•

Apache HTTP Server >= 2.0.59;

•

mod auth external >= 2.2.9;

•

edg-utils-system RPM package;

•

gd >= 2.0.28;

•

rpm package CASTOR-client >= 2.1.2-4;

•

arc-server (optional)

Nature of problem: Often, different groups of experimentalists prepare similar samples of particle collision events or turn to the same group of authors of Monte-Carlo (MC) generators to prepare the events. For example, the same MC samples of Standard Model (SM) processes can be employed for the investigations either in the SM analyses (as a signal) or in searches for new phenomena in Beyond Standard Model analyses (as a background). If the samples are made available publicly and equipped with corresponding and comprehensive documentation, it can speed up cross checks of the samples themselves and physical models applied. Some event samples require a lot of computing resources for preparation. So, a central storage of the samples prevents possible waste of researcher time and computing resources, which can be used to prepare the same events many times.Solution method: Creation of a special knowledgebase (MCDB) designed to keep event samples for the LHC experimental and phenomenological community. The knowledgebase is realized as a separate web-server (http://mcdb.cern.ch). All event samples are kept on types at CERN. Documentation describing the events is the main contents of MCDB. Users can browse the knowledgebase, read and comment articles (documentation), and download event samples. Authors can upload new event samples, create new articles, and edit own articles.Restrictions: The software is adopted to solve the problems, described in the article and there are no any additional restrictions.Unusual features: The software provides a framework to store and document large files with flexible authentication and authorization system. Different external storages with large capacity can be used to keep the files. The WEB Content Management System provides all of the necessary interfaces for the authors of the files, end-users and administrators.Running time: Real time operations.References:[1] The main LCG MCDB server, http://mcdb.cern.ch/.[2] P. Bartalini, L. Dudko, A. Kryukov, I.V. Selyuzhenkov, A. Sherstnev, A. Vologdin, LCG Monte-Carlo data base, hep-ph/0404241.[3] J.P. Baud, B. Couturier, C. Curran, J.D. Durand, E. Knezo, S. Occhetti, O. Barring, CASTOR: status and evolution, cs.oh/0305047.     

Accelerating Monte Carlo simulations with an NVIDIA graphics processor

Modern graphics cards, commonly used in desktop computers, have evolved beyond a simple interface between processor and display to incorporate sophisticated calculation engines that can be applied to general purpose computing. The Monte Carlo algorithm for modelling photon transport in turbid media has been implemented on an NVIDIA^® 8800gt graphics card using the CUDA toolkit. The Monte Carlo method relies on following the trajectory of millions of photons through the sample, often taking hours or days to complete. The graphics-processor implementation, processing roughly 110 million scattering events per second, was found to run more than 70 times faster than a similar, single-threaded implementation on a 2.67 GHz desktop computer.

Program summary

Program title: Phoogle-C/Phoogle-GCatalogue identifier: AEEB_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEEB_v1_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.htmlNo. of lines in distributed program, including test data, etc.: 51 264No. of bytes in distributed program, including test data, etc.: 2 238 805Distribution format: tar.gzProgramming language: C++Computer: Designed for Intel PCs. Phoogle-G requires a NVIDIA graphics card with support for CUDA 1.1Operating system: Windows XPHas the code been vectorised or parallelized?: Phoogle-G is written for SIMD architecturesRAM: 1 GBClassification: 21.1External routines: Charles Karney Random number library. Microsoft Foundation Class library. NVIDA CUDA library [1].Nature of problem: The Monte Carlo technique is an effective algorithm for exploring the propagation of light in turbid media. However, accurate results require tracing the path of many photons within the media. The independence of photons naturally lends the Monte Carlo technique to implementation on parallel architectures. Generally, parallel computing can be expensive, but recent advances in consumer grade graphics cards have opened the possibility of high-performance desktop parallel-computing.Solution method: In this pair of programmes we have implemented the Monte Carlo algorithm described by Prahl et al. [2] for photon transport in infinite scattering media to compare the performance of two readily accessible architectures: a standard desktop PC and a consumer grade graphics card from NVIDIA.Restrictions: The graphics card implementation uses single precision floating point numbers for all calculations. Only photon transport from an isotropic point-source is supported. The graphics-card version has no user interface. The simulation parameters must be set in the source code. The desktop version has a simple user interface; however some properties can only be accessed through an ActiveX client (such as Matlab).Additional comments: The random number library used has a LGPL (http://www.gnu.org/copyleft/lesser.html) licence.Running time: Runtime can range from minutes to months depending on the number of photons simulated and the optical properties of the medium.References:

[1]

http://www.nvidia.com/object/cuda_home.html.

[2]

S. Prahl, M. Keijzer, Sl. Jacques, A. Welch, SPIE Institute Series 5 (1989) 102.

     

GeodesicViewer - A tool for exploring geodesics in the theory of relativity

The GeodesicViewer realizes exocentric two- and three-dimensional illustrations of lightlike and timelike geodesics in the general theory of relativity. By means of an intuitive graphical user interface, all parameters of a spacetime as well as the initial conditions of the geodesics can be modified interactively. This makes the GeodesicViewer a useful instrument for the exploration of geodesics in four-dimensional Lorentzian spacetimes.

Program summary

Program title: GeodesicViewerCatalogue identifier: AEFP_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEFP_v1_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.htmlNo. of lines in distributed program, including test data, etc.: 168 868No. of bytes in distributed program, including test data, etc.: 6 076 202Distribution format: tar.gzProgramming language: C++, Qt, Qwt, OpenGLComputer: All platforms with a C++ compiler, Qt, Qwt, OpenGLOperating system: Linux, Mac OS XRAM: 24 MbytesClassification: 1.5External routines:

•

Gnu Scientific Library (GSL) (http://www.gnu.org/software/gsl/)

•

Motion4D (included in the package). The Motion4D library can also be downloaded from CPC. Catalogue identifier: AEEX

•

Qt (http://qt.nokia.com/downloads)

•

Qwt (http://qwt.sourceforge.net/)

•

OpenGL (http://www.opengl.org/)

Nature of problem: Illustrate geodesics in four-dimensional Lorentzian spacetimes.Solution method: Integration of ordinary differential equations. 3D-Rendering via OpenGL.Running time: Interactive. The examples given take milliseconds.     

yambo: An ab initio tool for excited state calculations

yambo is an ab initio code for calculating quasiparticle energies and optical properties of electronic systems within the framework of many-body perturbation theory and time-dependent density functional theory. Quasiparticle energies are calculated within the GW approximation for the self-energy. Optical properties are evaluated either by solving the Bethe-Salpeter equation or by using the adiabatic local density approximation. yambo is a plane-wave code that, although particularly suited for calculations of periodic bulk systems, has been applied to a large variety of physical systems. yambo relies on efficient numerical techniques devised to treat systems with reduced dimensionality, or with a large number of degrees of freedom. The code has a user-friendly command-line based interface, flexible I/O procedures and is interfaced to several publicly available density functional ground-state codes.

Program summary

Program title:yamboCatalogue identifier: AEDH_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEDH_v1_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions: GNU General Public Licence v2.0No. of lines in distributed program, including test data, etc.: 149 265No. of bytes in distributed program, including test data, etc.: 2 848 169Distribution format: tar.gzProgramming language: Fortran 95, CComputer: any computer architecture, running any flavor of UNIXOperating system: GNU/Linux, AIX, Irix, OS/XHas the code been vectorised or parallelized?: YesRAM: 10-1000 MbytesClassification: 7.3, 4.4, 7.2External routines:

•

BLAS (http://www.netlib.org/blas/)

•

LAPACK (http://www.netlib.org/lapack/)

•

MPI (http://www-unix.mcs.anl.gov/mpi/) is optional.

•

BLACS (http://www.netlib.org/scalapack/) is optional.

•

SCALAPACK (http://www.netlib.org/scalapack/) is optional.

•

FFTW (http://www.fftw.org/) is optional.

•

netCDF (http://www.unidata.ucar.edu/software/netcdf/) is optional.

Nature of problem: Calculation of excited state properties (quasiparticles, excitons, plasmons) from first principles.Solution method: Many body perturbation theory (Dyson equation, Bethe Salpeter equation) and time-dependent density functional theory. Quasiparticle approximation. Plasmon-pole model for the dielectric screening. Plane wave basis set with norm conserving pseudopotentials.Unusual features: During execution, yambo supplies estimates of the elapsed and remaining time for completion of each runlevel. Very friendly shell-based user-interface.Additional comments:yambo was known as “SELF” prior to GPL release. It belongs to the suite of codes maintained and used by the European Theoretical Spectroscopy Facility (ETSF) [1].Running time: The typical yambo running time can range from a few minutes to some days depending on the chosen level of approximation, and on the property and physical system under study.References:[1] The European Theoretical Spectroscopy Facility, http://www.etsf.eu.     

SPICE: Simulation Package for Including Flavor in Collider Events

We describe SPICE: Simulation Package for Including Flavor in Collider Events. SPICE takes as input two ingredients: a standard flavor-conserving supersymmetric spectrum and a set of flavor-violating slepton mass parameters, both of which are specified at some high “mediation” scale. SPICE then combines these two ingredients to form a flavor-violating model, determines the resulting low-energy spectrum and branching ratios, and outputs HERWIG and SUSY Les Houches files, which may be used to generate collider events. The flavor-conserving model may be any of the standard supersymmetric models, including minimal supergravity, minimal gauge-mediated supersymmetry breaking, and anomaly-mediated supersymmetry breaking supplemented by a universal scalar mass. The flavor-violating contributions may be specified in a number of ways, from specifying charges of fields under horizontal symmetries to completely specifying all flavor-violating parameters. SPICE is fully documented and publicly available, and is intended to be a user-friendly aid in the study of flavor at the Large Hadron Collider and other future colliders.

Program summary

Program title: SPICECatalogue identifier: AEFL_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEFL_v1_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.htmlNo. of lines in distributed program, including test data, etc.: 8153No. of bytes in distributed program, including test data, etc.: 67 291Distribution format: tar.gzProgramming language: C++Computer: Personal computerOperating system: Tested on Scientific Linux 4.xClassification: 11.1External routines: SOFTSUSY [1,2] and SUSYHIT [3]Nature of problem: Simulation programs are required to compare theoretical models in particle physics with present and future data at particle colliders. SPICE determines the masses and decay branching ratios of supersymmetric particles in theories with lepton flavor violation. The inputs are the parameters of any of several standard flavor-conserving supersymmetric models, supplemented by flavor-violating parameters determined, for example, by horizontal flavor symmetries. The output are files that may be used for detailed simulation of supersymmetric events at particle colliders.Solution method: Simpson's rule integrator, basic algebraic computation.Additional comments: SPICE interfaces with SOFTSUSY and SUSYHIT to produce the low energy sparticle spectrum. Flavor mixing for sleptons and sneutrinos is fully implemented; flavor mixing for squarks is not included.Running time: <1 minute. Running time is dominated by calculating the possible and relevant three-body flavor-violating decays of sleptons, which is usually 10-15 seconds per slepton.References:

[1]

B.C. Allanach, Comput. Phys. Commun. 143 (2002) 305, arXiv:hep-ph/0104145.

[2]

B.C. Allanach, M.A. Bernhardt, arXiv:0903.1805 [hep-ph].

[3]

A. Djouadi, M.M. Muhlleitner, M. Spira, Acta Phys. Pol. B 38 (2007) 635, arXiv:hep-ph/0609292.

     

CADNA: a library for estimating round-off error propagation

The CADNA library enables one to estimate round-off error propagation using a probabilistic approach. With CADNA the numerical quality of any simulation program can be controlled. Furthermore by detecting all the instabilities which may occur at run time, a numerical debugging of the user code can be performed. CADNA provides new numerical types on which round-off errors can be estimated. Slight modifications are required to control a code with CADNA, mainly changes in variable declarations, input and output. This paper describes the features of the CADNA library and shows how to interpret the information it provides concerning round-off error propagation in a code.

Program summary

Program title:CADNACatalogue identifier:AEAT_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEAT_v1_0.htmlProgram obtainable from:CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions:Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.htmlNo. of lines in distributed program, including test data, etc.:53 420No. of bytes in distributed program, including test data, etc.:566 495Distribution format:tar.gzProgramming language:FortranComputer:PC running LINUX with an i686 or an ia64 processor, UNIX workstations including SUN, IBMOperating system:LINUX, UNIXClassification:4.14, 6.5, 20Nature of problem:A simulation program which uses floating-point arithmetic generates round-off errors, due to the rounding performed at each assignment and at each arithmetic operation. Round-off error propagation may invalidate the result of a program. The CADNA library enables one to estimate round-off error propagation in any simulation program and to detect all numerical instabilities that may occur at run time.Solution method:The CADNA library [1] implements Discrete Stochastic Arithmetic [2-4] which is based on a probabilistic model of round-off errors. The program is run several times with a random rounding mode generating different results each time. From this set of results, CADNA estimates the number of exact significant digits in the result that would have been computed with standard floating-point arithmetic.Restrictions:CADNA requires a Fortran 90 (or newer) compiler. In the program to be linked with the CADNA library, round-off errors on complex variables cannot be estimated. Furthermore array functions such as product or sum must not be used. Only the arithmetic operators and the abs, min, max and sqrt functions can be used for arrays.Running time:The version of a code which uses CADNA runs at least three times slower than its floating-point version. This cost depends on the computer architecture and can be higher if the detection of numerical instabilities is enabled. In this case, the cost may be related to the number of instabilities detected.References:

[1]

The CADNA library, URL address: http://www.lip6.fr/cadna.

[2]

J.-M. Chesneaux, L'arithmétique Stochastique et le Logiciel CADNA, Habilitation á diriger des recherches, Université Pierre et Marie Curie, Paris, 1995.

[3]

J. Vignes, A stochastic arithmetic for reliable scientific computation, Math. Comput. Simulation 35 (1993) 233-261.

[4]

J. Vignes, Discrete stochastic arithmetic for validating results of numerical software, Numer. Algorithms 37 (2004) 377-390.

     

wannier90: A tool for obtaining maximally-localised Wannier functions

We present wannier90, a program for calculating maximally-localised Wannier functions (MLWF) from a set of Bloch energy bands that may or may not be attached to or mixed with other bands. The formalism works by minimising the total spread of the MLWF in real space. This is done in the space of unitary matrices that describe rotations of the Bloch bands at each k-point. As a result, wannier90 is independent of the basis set used in the underlying calculation to obtain the Bloch states. Therefore, it may be interfaced straightforwardly to any electronic structure code. The locality of MLWF can be exploited to compute band-structure, density of states and Fermi surfaces at modest computational cost. Furthermore, wannier90 is able to output MLWF for visualisation and other post-processing purposes. Wannier functions are already used in a wide variety of applications. These include analysis of chemical bonding in real space; calculation of dielectric properties via the modern theory of polarisation; and as an accurate and minimal basis set in the construction of model Hamiltonians for large-scale systems, in linear-scaling quantum Monte Carlo calculations, and for efficient computation of material properties, such as the anomalous Hall coefficient. wannier90 is freely available under the GNU General Public License from http://www.wannier.org/.

Program summary

Program title: wannier90Catalogue identifier: AEAK_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEAK_v1_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.htmlNo. of lines in distributed program, including test data, etc.: 556 495No. of bytes in distributed program, including test data, etc.: 5 709 419Distribution format: tar.gzProgramming language: Fortran 90, perlComputer: any architecture with a Fortran 90 compilerOperating system: Linux, Windows, Solaris, AIX, Tru64 Unix, OSXRAM: 10 MBWord size: 32 or 64Classification: 7.3External routines:

•

BLAS (http://www/netlib.org/blas).

•

LAPACK (http://www.netlib.org/lapack).

Both available under open-source licenses.Nature of problem: Obtaining maximally-localised Wannier functions from a set of Bloch energy bands that may or may not be entangled.Solution method: In the case of entangled bands, the optimally-connected subspace of interest is determined by minimising a functional which measures the subspace dispersion across the Brillouin zone. The maximally-localised Wannier functions within this subspace are obtained by subsequent minimisation of a functional that represents the total spread of the Wannier functions in real space. For the case of isolated energy bands only the second step of the procedure is required.Unusual features: Simple and user-friendly input system. Wannier functions and interpolated band structure output in a variety of file formats for visualisation.Running time: Test cases take 1 minute.References:

[1] 

N. Marzari, D. Vanderbilt, Maximally localized generalized Wannier functions for composite energy bands, Phys. Rev. B 56 (1997) 12847.

[2] 

I. Souza, N. Marzari, D. Vanderbilt, Maximally localized Wannier functions for entangled energy bands, Phys. Rev. B 65 (2001) 035109.

     

Heuristic computation of the rovibrational G matrix in optimized molecule-fixed axes. Gmat 2.1

Gmat 2.1 is a program able to compute the rovibrational G matrix in different molecule-fixed axes extending the capabilities of Gmat 1.0. The present version is able to select optimal molecule-fixed axes minimizing the pure rotational kinetic elements, the rovibrational kinetic elements or both simultaneously. To such an end, it uses a hybrid minimization approach. Thus, it combines a global search heuristic based in simulated annealing with a gradient-free local minimization. As the previous version, the program handles the structural results of potential energy hypersurface mappings computed in computer clusters or computational Grid environments. However, since now more general molecule-fixed axes can be defined, a procedure is implemented to ensure the same minimum of the cost function is used in all the molecular structures. In addition, an algorithm for the unambiguous definition of the molecule-fixed axes orientation is used.

Program summary

Program title: Gmat 2.1Catalogue identifier: AECZ_v2_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AECZ_v2_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.htmlNo. of lines in distributed program, including test data, etc.: 52 555No. of bytes in distributed program, including test data, etc.: 932 366Distribution format: tar.gzProgramming language: Standard ANSI C++Computer: AllOperating system: Linux, WindowsClassification: 16.2Catalogue identifier of previous version: AECZ_v1_0Journal reference of previous version: Comput. Phys. Comm. 180 (2009) 1183Does the new version supersede the previous version?: YesNature of problem: When building molecular rovibrational Hamiltonians, the kinetic terms depend on the molecule-fixed axes orientation. Thus, an appropriate orientation can significantly simplify the treatment of pure rotation and rovibrational coupling. The kinetic terms are collected in the rovibrational G matrix. Thus, selection of an appropriate molecule-fixed reference frame is equivalent to localize the axes that minimize specific G matrix elements. From this standpoint, three different kinds of molecule-fixed axes are of interest: first, axes minimizing pure rotational elements of the G matrix; second, axes minimizing all the rovibrational G matrix elements; third, axes minimizing simultaneously pure rotational + rovibrational coupling elements.Solution method: In order to carry out the optimal selection of molecule-fixed axes, we add a hybrid method of minimization to the capabilities included in the first version of the program [1]. Thus, we minimize specific elements of the rovibrational G matrix. To such an end, we apply a heuristic global optimization strategy, simulated annealing [2], followed by a Powell's local minimization [3]. We also include a procedure to ensure that the same minimum is used when several molecular configurations are considered. In addition, an unambiguous molecule-fixed axes ordering is implemented.Reasons for new version: The previous version of the program, Gmat 1.0, works in principal axes of inertia. Although this axes system is adequate for pure vibrational Hamiltonians, it is not always optimal for the construction of general rovibrational Hamiltonians. However, implementing the methods presented here, we can obtain molecule-fixed axes minimizing pure rotational or/and rovibrational interactions in the G matrix. In this form, we can derive the simplest analytical form of the rovibrational Hamiltonian.Summary of revisions: Some new methods have been introduced:

1.

A method to build the molecule-fixed axes rotation matrix from the Euler angles.

2.

Methods for rotating nuclear coordinates and their derivatives using the rotation matrix.

3.

A method for applying simulated annealing to the search of the global minimum of a cost function formed by rotational or rovibrational G matrix elements.

4.

A method implementing Powell.

Running time: The sample tests take a few seconds to execute.References:

[1]

M.E. Castro, A. Niño, C. Muñoz-Caro, Comput. Phys. Comm. 180 (2009) 1183.

[2]

S. Kirkpatrick, C.D. Gelatt Jr., M.P. Vecchi, Science 220 (4598) (1983) 671.

[3]

W.H. Press, B.P. Flannery, S.A. Teukolsky, W.T. Vetterling, Numerical Recipes. The Art of Scientific Computing, Cambridge University Press, Cambridge, 2007.

     

JADAMILU: a software code for computing selected eigenvalues of large sparse symmetric matrices

A new software code for computing selected eigenvalues and associated eigenvectors of a real symmetric matrix is described. The eigenvalues are either the smallest or those closest to some specified target, which may be in the interior of the spectrum. The underlying algorithm combines the Jacobi-Davidson method with efficient multilevel incomplete LU (ILU) preconditioning. Key features are modest memory requirements and robust convergence to accurate solutions. Parameters needed for incomplete LU preconditioning are automatically computed and may be updated at run time depending on the convergence pattern. The software is easy to use by non-experts and its top level routines are written in FORTRAN 77. Its potentialities are demonstrated on a few applications taken from computational physics.

Program summary

Program title: JADAMILUCatalogue identifier: ADZT_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADZT_v1_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.htmlNo. of lines in distributed program, including test data, etc.: 101 359No. of bytes in distributed program, including test data, etc.: 7 493 144Distribution format: tar.gzProgramming language: Fortran 77Computer: Intel or AMD with g77 and pgf; Intel EM64T or Itanium with ifort; AMD Opteron with g77, pgf and ifort; Power (IBM) with xlf90.Operating system: Linux, AIXRAM: problem dependentWord size: real:8; integer: 4 or 8, according to user's choiceClassification: 4.8Nature of problem: Any physical problem requiring the computation of a few eigenvalues of a symmetric matrix.Solution method: Jacobi-Davidson combined with multilevel ILU preconditioning.Additional comments: We supply binaries rather than source code because JADAMILU uses the following external packages:

•

MC64. This software is copyrighted software and not freely available. COPYRIGHT (c) 1999 Council for the Central Laboratory of the Research Councils.

•

AMD. Copyright (c) 2004-2006 by Timothy A. Davis, Patrick R. Amestoy, and Iain S. Duff. All Rights Reserved. Source code is distributed by the authors under the GNU LGPL licence.

•

BLAS. The reference BLAS is a freely-available software package. It is available from netlib via anonymous ftp and the World Wide Web.

•

LAPACK. The complete LAPACK package or individual routines from LAPACK are freely available on netlib and can be obtained via the World Wide Web or anonymous ftp.

•

For maximal benefit to the community, we added the sources we are proprietary of to the tar.gz file submitted for inclusion in the CPC library. However, as explained in the README file, users willing to compile the code instead of using binaries should first obtain the sources for the external packages mentioned above (email and/or web addresses are provided).

Running time: Problem dependent; the test examples provided with the code only take a few seconds to run; timing results for large scale problems are given in Section 5.     

FeynRules - Feynman rules made easy

In this paper we present FeynRules, a new Mathematica package that facilitates the implementation of new particle physics models. After the user implements the basic model information (e.g., particle content, parameters and Lagrangian), FeynRules derives the Feynman rules and stores them in a generic form suitable for translation to any Feynman diagram calculation program. The model can then be translated to the format specific to a particular Feynman diagram calculator via FeynRules translation interfaces. Such interfaces have been written for CalcHEP/CompHEP, FeynArts/FormCalc, MadGraph/MadEvent and Sherpa, making it possible to write a new model once and have it work in all of these programs. In this paper, we describe how to implement a new model, generate the Feynman rules, use a generic translation interface, and write a new translation interface. We also discuss the details of the FeynRules code.

Program summary

Program title: FeynRulesCatalogue identifier: AEDI_v1_0Program summary URL::http://cpc.cs.qub.ac.uk/summaries/AEDI_v1_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.htmlNo. of lines in distributed program, including test data, etc.: 15 980No. of bytes in distributed program, including test data, etc.: 137 383Distribution format: tar.gzProgramming language: MathematicaComputer: Platforms on which Mathematica is availableOperating system: Operating systems on which Mathematica is availableClassification: 11.1, 11.2, 11.6Nature of problem: Automatic derivation of Feynman rules from a Lagrangian. Implementation of new models into Monte Carlo event generators and FeynArts.Solution method: FeynRules works in two steps:

1. derivation of the Feynman rules directly form the Lagrangian using canonical commutation relations among fields and creation operators.

2. implementation of the new physics model into FeynArts as well as various Monte Carlo programs via interfaces.

Full-size table

     

A Monte Carlo C-code for calculating transmission efficiency of recoil separators and viewing residue trajectories

We present a semimicroscopic Monte Carlo code for calculating absolute transmission efficiency of recoil separators for heavy ion-induced complete fusion reactions. The code generates realistic distributions for energy, charge state and angle of evaporation residues. Residue trajectories are calculated using first order ion optical transfer matrices. Trajectory plots in the dispersive and the non-dispersive planes are generated. Using this code, we have obtained good agreement between calculated and measured transmission efficiencies for the Heavy Ion Reaction Analyzer at IUAC. The code can be adapted easily to any other electromagnetic recoil separator.

Program summary

Program title: TERSCatalogue identifier: AEBD_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEBD_v1_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.htmlNo. of lines in distributed program, including test data, etc.: 6818No. of bytes in distributed program, including test data, etc.: 1 216 097Distribution format: tar.gzProgramming language: CComputer: The code has been developed and tested on a PC with Intel Pentium IV processorOperating system: LinuxRAM: About 8 MbytesClassification: 17.7External routines: pgplot graphics subroutine library [1] should be installed in the system for generating residue trajectory plots.Nature of problem: Recoil separators are employed to select and identify nuclei of interest, produced in a nuclear reaction, rejecting unreacted beam and other undesired reaction products. It is important to know what fraction of the selected nuclei, leaving the target, reaches the detection system. This information is crucial for determining absolute cross section of the studied reaction.Solution method:Interaction of projectiles with target nuclei is treated event by event, semimicroscopically. Position and angle (with respect to beam direction), energy and charge state of the reaction products are calculated by Monte Carlo method. Trajectory of each nuclei inside the separator is then calculated by ion optical transfer matrix method. Ratio of the number of trajectories completing their journey up to the detection system to the total number of trajectories is a direct measure of absolute transmission efficiency of the separator.Restrictions: The present version of the code is applicable to complete fusion reactions only. The code can be applied to other types of reactions (e.g., few nucleon transfer) as well, by suitably modifying energy and angular distribution of reaction products. Also, ion optical specifications and acceptance are unique for each recoil separator. Transmission efficiency calculation has been done for a specific recoil separator, viz. the Heavy Ion Reaction Analyzer [2,3] at IUAC. One has to make necessary changes in the code, while performing calculations for other recoil separators. Further, atomic number of the residual nucleus should not exceed 92, as the method used for calculating stopping power of ions [4] is valid for Z?92.Running time: From few seconds to several minutes depending on the reaction, number of events and separator layout.References:

[1]

http://www.astro.caltech.edu/~tjp/pgplot/.

[2]

A.K. Sinha, N. Madhavan, J.J. Das, P. Sugathan, D.O. Kataria, A.P. Patro, G.K. Mehta, Nucl. Instr. Methods A 339 (1994) 543.

[3]

S. Nath, Nucl. Instr. Methods A 576 (2007) 403.

[4]

J.F. Ziegler, J.P. Biersack, U. Littmark, The Stopping and Range of Ions in Solids, vol. I, Pergamon Press, Oxford, 1984.

     

AutoDipole - Automated generation of dipole subtraction terms -

We present an automated generation of the subtraction terms for next-to-leading order QCD calculations in the Catani-Seymour dipole formalism. For a given scattering process with n external particles our Mathematica package generates all dipole terms, allowing for both massless and massive dipoles. The numerical evaluation of the subtraction terms proceeds with MadGraph, which provides Fortran code for the necessary scattering amplitudes. Checks of the numerical stability are discussed.

Program summary

Program title: AutoDipoleCatalogue identifier: AEGO_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEGO_v1_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.htmlNo. of lines in distributed program, including test data, etc.: 138 042No. of bytes in distributed program, including test data, etc.: 1 117 665Distribution format: tar.gzProgramming language: Mathematica and FortranComputer: Computers running Mathematica (version 7.0)Operating system: The package should work on every Linux system supported by Mathematica. Detailed tests have been performed on Scientific Linux as supported by DESY and CERN and on openSUSE and Debian.RAM: Depending on the complexity of the problem, recommended at least 128 MB RAMClassification: 11.5External routines: MadGraph (including HELAS library) available under http://madgraph.hep.uiuc.edu/ or http://madgraph.phys.ucl.ac.be/ or http://madgraph.roma2.infn.it/. A copy of the tar file, MG_ME_SA_V4.4.30, is included in the AutoDipole distribution package.Nature of problem: Computation of next-to-leading order QCD corrections to scattering cross sections, regularization of real emission contributions.Solution method: Catani-Seymour subtraction method for massless and massive partons [1,2]; Numerical evaluation of subtracted matrix elements interfaced to MadGraph [3-5] (stand-alone version) using helicity amplitudes and the HELAS library [6,7] (contained in MadGraph).Restrictions: Limitations of MadGraph are inherited.Running time: Dependent on the complexity of the problem with typical run times of the order of minutes.References:

[1]

S. Catani, M.H. Seymour, Nuclear Phys. B 485 (1997) 291, hep-ph/9605323.

[2]

S. Catani, et al., Nuclear Phys. B 627 (2002) 189, hep-ph/0201036.

[3]

T. Stelzer, W.F. Long, Comput. Phys. Comm. 81 (1994) 357, hep-ph/9401258.

[4]

F. Maltoni, T. Stelzer, JHEP 0302 (2003) 027, hep-ph/0208156.

[5]

J. Alwall, et al., JHEP 0709 (2007) 028, arXiv:0706.2334 [hep-ph].

[6]

K. Hagiwara, H. Murayama, I. Watanabe, Nuclear Phys. B 367 (1991) 257.

[7]

H. Murayama, I. Watanabe, K. Hagiwara, KEK-91-11.