ACCESS Resource Provider Software Discovery

hwloc v2.11.2-gcc13.3.1-p20240614

Module: hwloc/2.11.2-gcc13.3.1-p20240614

aocc v5.0.0

Module: aocc/5.0.0

AOCC loads AOCC compiler setup

aocc v2.3.0

Module: aocc/2.3.0

The AOCC compiler system is a high performance, production quality code generation tool. The AOCC environment provides various options to developers when building and optimizing C, C++, and Fortran applications targeting 32-bit and 64-bit Linux platforms. The AOCC compiler system offers a high level of advanced optimizations, multi-threading and processor support that includes global optimization, vectorization, inter-procedural analyses, loop transformations, and code generation. AMD also provides highly o

Domain: compilers

Keywords: clang clang++ flang AMD

intel-inspector v2023.2.0

Module: intel-inspector/2023.2.0

LAMMPS v 14Dec21

Module: LAMMPS/ 14Dec21

Classical molecular dynamics.

Domain: Materials Sciences

Keywords: molecular dynamics

methylpy v 1.4.3

Module: methylpy/ 1.4.3

methylpy is an analysis pipeline for DNA methylation data.

Domain: Biological Sciences

Keywords: singularity bioinformatics

QuantumEspresso v 6.7

Module: QuantumEspresso/ 6.7

Quantum ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials (both norm-conserving and ultrasoft).

Domain: Materials Sciences

Keywords: DFT ab initio pseudopotential

py-numpy v1.19.4

Module: py-numpy/1.19.4

NumPy is the fundamental package for scientific computing with Python. It contains among other things: a powerful N-dimensional array object, sophisticated (broadcasting) functions, tools for integrating C/C++ and Fortran code, and useful linear algebra, Fourier transform, and random number capabilities

Domain: numerical libraries

Keywords: python numpy

MuST v 1.5

Module: MuST/ 1.5

MuST is software package designed for performing ab initio electornic structure calculations for metals, alloys, and nanostructures. It is an all-electron DFT code based on multiple scattering theory, also known as KKR method, and Green function techniques.

Domain: Materials Sciences

Keywords: DFT ab initio multiple scattering theory Green function KKR KKR-CPA LSMS

VASP v 6.4.1

Module: VASP/ 6.4.1

The Vienna Ab initio Simulation Package (VASP) is a computer program for atomic scale materials modelling, e.g. electronic structure calculations and quantum-mechanical molecular dynamics, from first principles. VASP is not public domain software, and PSC does not provide public access to it. You must have your own VASP license in order to use it on Bridges-2. To use VASP on Bridges-2, submit the VASP request form, verifying your license information. Once you have submitted the VASP request form and your

Domain: Materials Sciences

Keywords: DFT ab initio pseudopotential

intel-itac v2021.10.0

Module: intel-itac/2021.10.0

aocc v2.2.0

Module: aocc/2.2.0

The AOCC compiler system is a high performance, production quality code generation tool. The AOCC environment provides various options to developers when building and optimizing C, C++, and Fortran applications targeting 32-bit and 64-bit Linux platforms. The AOCC compiler system offers a high level of advanced optimizations, multi-threading and processor support that includes global optimization, vectorization, inter-procedural analyses, loop transformations, and code generation. AMD also provides highly o

Domain: compilers

Keywords: clang clang++ flang AMD

fftw v3.3.8

Module: fftw/3.3.8

FFTW is a C subroutine library for computing the discrete Fourier transform (DFT) in one or more dimensions, of arbitrary input size, and of both real and complex data (as well as of even/odd data, i.e. the discrete cosine/sine transforms or DCT/DST). We believe that FFTW, which is free software, should become the FFT library of choice for most applications.

Domain: libraries

Keywords: FFTW MPI

zoltan v3.83

Module: zoltan/3.83

The Zoltan library is a toolkit of parallel combinatorial algorithms for parallel, unstructured, and/or adaptive scientific applications. Zoltan's largest component is a suite of dynamic load-balancing and partitioning algorithms that increase applications' parallel performance by reducing idle time. Zoltan also has graph coloring and graph ordering algorithms, which are useful in task schedulers and parallel preconditioners.

Domain: Data management services for unstructured adaptive and dynamic applications

v

Module: /

Domain: Artificial Intelligence

Keywords: singularity artificial intelligence machine learning tensorflow

anaconda3 v2024.10-1

Module: anaconda3/2024.10-1

Anaconda is a free and open-source distribution of the Python and R programming languages for scientific computing, that aims to simplify package management and deployment. Package versions are managed by the package management system conda.

Domain: Open data science platform

Keywords: python R

ncdu v 2.5

Module: ncdu/ 2.5

Ncdu is a disk usage analyzer with an ncurses interface.

Domain: Other

vcf2maf v 1.6.21

Module: vcf2maf/ 1.6.21

Convert a VCF into a MAF, where each variant is annotated to only one of all possible gene isoforms

Domain: Biological Sciences

Keywords: singularity bioinformatics

QuantumEspresso v 7.5

Module: QuantumEspresso/ 7.5

Quantum ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials (both norm-conserving and ultrasoft).

Domain: Materials Sciences

Keywords: DFT ab initio pseudopotential

picard v 2.23.2

Module: picard/ 2.23.2

Picard is a set of command line tools for manipulating high-throughput sequencing (HTS) data and formats such as SAM/BAM/CRAM and VCF.

Domain: Biological Sciences

Keywords: singularity bioinformatics

bismark v 0.22.3

Module: bismark/ 0.22.3

A tool to map bisulfite converted sequence reads and determine cytosine methylation states.

Domain: Biological Sciences

QuantumEspresso v 7.0

Module: QuantumEspresso/ 7.0

Quantum ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials (both norm-conserving and ultrasoft).

Domain: Materials Sciences

Keywords: DFT ab initio pseudopotential

anaconda3 v2022.10

Module: anaconda3/2022.10

Anaconda is a free and open-source distribution of the Python and R programming languages for scientific computing, that aims to simplify package management and deployment. Package versions are managed by the package management system conda.

Domain: Open data science platform

Keywords: python R

QuantumEspresso v 7.5

Module: QuantumEspresso/ 7.5

Quantum ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials (both norm-conserving and ultrasoft).

Domain: Materials Sciences

Keywords: DFT ab initio pseudopotential

fastq-tools v 0.8

Module: fastq-tools/ 0.8

Small utilities for working with fastq sequence files.

Domain: Biological Sciences

Keywords: singularity bioinformatics