Engineering Software and Misc.

As experts in AI and HPC solutions for the Engineering industry, we are often asked which applications do we typically find being integrated with our HPC (high performance computing) and AI technology solutions so we have compiled the following list which provides a brief snapshot of those engineering applications we see being used most frequently.

Abaqus – Abaqus FEA is a software suite for finite element analysis and computer-aided engineering, originally released in 1978. The name and logo of this software are based on the abacus calculation tool.
Abinit – ABINIT is a software suite to calculate the optical, mechanical, vibrational, and other observable properties of materials. Starting from the quantum equations of density functional theory, Abinit allows you to build up to advanced applications with perturbation theories based on DFT, and Green’s functions (GW and DMFT).  ABINIT can calculate molecules, nanostructures and solids with any chemical composition, and comes with several complete and robust tables of atomic potentials.
AMBER – Assisted Model Building with Energy Refinement (AMBER) is a family of force fields for molecular dynamics of biomolecules originally developed by Peter Kollman’s group at the University of California, San Francisco.
ANSYS Fluent – Ansys, Inc. is an American company based in Canonsburg, Pennsylvania. Ansys computational fluid dynamics (CFD) products are for engineers who need to make better, faster decisions.  Ansys Fluent has been validated and is highly regarded for its superior computing power and accurate results. 
ANSYS Mechanical – ANSYS Mechanical is a comprehensive suite of structural analysis simulation tools that engineers can simulate shock, drop and vibration, impact and penetration, smashes and crashes, occupant safety, heat transfer, solder fatigue, repetitive loading and more. With a range of applications and product integrations, Ansys structural analysis helps you solve your toughest product challenges.
BLAST – With a focus on bioinformatics, BLAST is an algorithm and program for comparing primary biological sequence information, such as the amino-acid sequences of proteins or the nucleotides of DNA and/or RNA sequences.
CHARMM – Chemistry at Harvard Macromolecular Mechanics (CHARMM) is the name of a widely used set of force fields for molecular dynamics, and the name for the molecular dynamics simulation and analysis computer software package. 
CST Microwave StudioCST Studio Suite is a high-performance 3D EM analysis software package for designing, analyzing, and optimizing electromagnetic (EM) components and systems.
GAMESS – General Atomic and Molecular Electronic Structure System (GAMESS) is software for computational chemistry programs.
Gaussian
GROMACS – GROMACS is molecular dynamics software primarily designed for simulations of proteins, lipids, and nucleic acids. GROMACS was developed in the Biophysical Chemistry department of University of Groningen, and is now maintained by contributors and universities worldwide.
HMMER – HMMER is a free and popular software package for sequence analysis that focuses on identify homologous protein or nucleotide sequences, and to perform sequence alignments. It detects homology by comparing a profile-HMM to either a single sequence or a database of sequences
LAMMPS – Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) is a molecular dynamics program that was developed at Sandia National Laboratories. LAMMPS makes use of Message Passing Interface for parallel communication.
LS-DYNA – LS-DYNA is an advanced multiphysics simulation software package developed by the former Livermore Software Technology Corporation and in 2019 was acquired by Ansys.
LSMS – Livescan Management Software (LSMS) processes biometric processes, verification, and various identification requirements. LSMS was developed to process and capture multiple biometrics as well as integrating required biographical data.  LSMS is known for creating a  file for submission to various local, state, and federal agencies including being used for the Automated Fingerprint Identification System (AFIS) and Automated Biometric Identification System (ABIS). 
Mathematica – Wolfram Mathematica is a software system with built-in libraries for several areas of technical computing that focus on machine learning, statistics, symbolic computation, manipulating matrices, plotting functions and various types of data, implementation of algorithms, creation of user interfaces, and interfacing with programs written in other programming languages.
MATLAB – MATLAB is a proprietary programming language and numeric computing environment developed by MathWorks. MATLAB allows matrix manipulations, plotting of functions including function and data as well as the implementation of algorithms, creation of user interfaces, and interfacing with programs written in other languages.
MOLPRO – MOLPRO is a software package used for accurate ab initio quantum chemistry calculations.
MSC Nastran – NASTRAN is a finite element analysis program that was originally developed for NASA in the late 1960s through U.S. government funding for the aerospace industry. The MacNeal-Schwendler Corporation was one of the principal and original developers of the publicly available NASTRAN code.
NAMD – Nanoscale Molecular Dynamics (NAMD) is computer software for molecular dynamics simulation, written using the Charm++ parallel programming model. It is noted for its parallel efficiency and is often used to simulate large systems.
OpenFOAM – OpenFOAM is a C++ application for the development of customized numerical solvers, and pre and post-processing utilities for the solution of continuum mechanics problems, including computational fluid dynamics.
Q-CHEM – Q-Chem is a comprehensive ab initio quantum chemistry software for accurate predictions of molecular structures, reactivities, and vibrational, electronic, and NMR spectra.
Quantum Espresso – Quantum ESPRESSO is a free, Linux MacOS suite for first-principles electronic-structure calculations and materials modeling.  Quantum ESPRESSO is based on density-functional theory, plane-wave basis sets, and pseudopotentials.
S3D – S3D is a 3D software package that empowers engineers, architects, designers, and research professionals with complete control over the 3D printing process.
Star-CCM+ – Simcenter STAR-CCM+ is a commercial Computational Fluid Dynamics based simulation software developed by Siemens Digital Industries Software.
TeraChem – TeraChem is the first computational chemistry software program designed for new streaming processors such as those utilized by graphics processing units. TeraChem’s computational algorithms have been completely redesigned to utilize the parallelism of CUDA-enabled Nvidia GPUs.
VASP – The Vienna Ab initio Simulation Package or VASP is software for performing ab initio quantum mechanical calculations using either Vanderbilt pseudopotentials, or the projector augmented wave method and a plane wave basis set.
VMD – Visual Molecular Dynamics or VMD is a molecular modeling and visualization softwar3. VMD was developed to view and analyze the results of molecular dynamics simulations as well as providing tools for working with volumetric data, sequence data, and arbitrary graphics objects.
WRF – The Weather Research and Forecasting (WRF) model is a numerical weather prediction system designed to serve both atmospheric research and operational forecasting needs. NWP is software that provides computer simulation and prediction of the atmosphere.  To learn more about PSSC Labs’ weather modeling solutions click here.

Life Sciences Software

Life Sciences Applications as well as the High Throughput Genomics Applications listed below are but a few of the many that are a perfect for the PSSC Labs HPC and AI solutions.

ACEMD – Solutions to build, simulate and analyze your molecular systems.
Acceleware RTM – Reverse Time Migration (RTM) is an advanced migration method for seismic depth imaging. The strength of RTM stems from the fact that it fully respects the two-way acoustic wave equation, thus improving imaging in areas where complex geology violates the assumptions made in Kirchhoff or one-way wave equation migrations.
ADINA – The ADINA solver offers all the capabilities of the NX Nastran Advanced Non-Linear solver (Sol 601/701) and many more.
AnyLogic – AnyLogic is a multimethod simulation modeling tool developed by The AnyLogic Company. It supports agent-based, discrete event, and system dynamics simulation methodologies. AnyLogic is cross-platform simulation software that works on Windows, macOS and Linux.
Arena – Arena is a discrete event simulation and automation software developed by Systems Modeling and acquired by Rockwell Automation in 2000. It uses the SIMAN processor and simulation language.
AutoCAD – AutoCAD is a commercial computer-aided design and drafting software application. Developed and marketed by Autodesk, AutoCAD was first released in December 1982 as a desktop app running on microcomputers with internal graphics controllers.
CFD+Autodesk CFD is a computational fluid dynamics simulation software that engineers and analysts use to intelligently predict how liquids and gases will perform. Autodesk CFD helps to minimize the need for physical prototypes while providing deeper insight into fluid flow design performance.
CFD++ – CFD++ allows for treatment of complex geometries by its unification of structured, unstructured, and multiblock grids.
CLC Genomics – CLC bio develops widely cited desktop, enterprise and cloud software for analysis of biological data. While offering some open source algorithms with their tools, CLC bio have their own implementations of several popular applications, which have been accelerated using SIMD technology. 
COMSOL Multiphysics – COMSOL Multiphysics is a cross-platform finite element analysis, solver and multiphysics simulation software. It allows conventional physics-based user interfaces and coupled systems of partial differential equations.
Converge CFD – As a leading computational fluid dynamics (CFD) software for simulating three-dimensional fluid flow, CONVERGE is designed to facilitate innovation processes.
Fluidyna – FluiDyna GmbH, a renowned developer of NVIDIA CUDA and GPU-based Computational Fluid Dynamics (CFD) and numerical simulation technologies.
Headwave Suite – Headwave™ removes the limitations created by seismic data size to enable full visualization, interactivity, and computation delivering value across the E&P workflow to reduce uncertainty and accelerate time to first oil.
Molegro Virtual Docker – Molegro Virtual Docker is an integrated platform for predicting protein–ligand interactions. Molegro Virtual Docker handles all aspects of the docking process from preparation of the molecules to determination of the potential binding sites of the target protein, and prediction of the binding modes of the ligands.
NEi Nastran – NEi Nastran is an engineering analysis and simulation software product of NEi Software that is based on NASA’s Structural Analysis program NASTRAN, the software is a finite element analysis (FEA) solver used to generate solutions for linear and nonlinear stress, dynamics, and heat transfer characteristics of structures and mechanical components.
Numeca – NUMECA is a leader in computational fluid dynamics (CFD), mesh generation, multi-physics simulation and optimization.
Paradigm RTM
Schlumberger Visage – The VISAGE finite-element geomechanics simulator enables you to plan for and mitigate risks by modeling problems before they occur.
SimScale – SimScale is a full-cloud CAE simulation software that helps you perform CFD, FEA, and thermal simulations for CAD models in the cloud.
Simul8 – SIMUL8 simulation software is a product of the SIMUL8 Corporation used for simulating systems that involve the processing of discrete entities at discrete times. This program is a tool for planning, design, optimization, and reengineering of real production, manufacturing, logistic or service provision systems.
Simulink – Simulink is a MATLAB-based graphical programming environment for modeling, simulating and analyzing multidomain dynamical systems. Its primary interface is a graphical block diagramming tool and a customizable set of block libraries.
SolidWorks – SolidWorks is a solid modeling computer-aided design (CAD) and computer-aided engineering computer program published by Dassault Systèmes, that runs primarily on Microsoft Windows.

Weather Modeling Software

Weather modeling software requires specialized high performance computing and AI systems and the engineering team at PSSC Labs has found the following weather modeling software to be ideal fits for our systems.  This list is continually growing so contact our weather modeling experts to learn more about your specific needs.

NCAR Graphics – National Center for Atmospheric Research (NCAR) Graphics is a Fortran and C-based software package for scientific visualization. It consists of routines for drawing contours, maps, vectors, streamlines, weather maps, surfaces, histograms, X/Y plots, annotations, and more. NCAR Graphics is sponsored by the National Science Foundation and managed by the University Corporation for Atmospheric Research.
NEMO – NEMO is an abbreviation for “Nucleus for European Modeling of the Ocean” and is a state-of-the-art modeling framework for research activities and forecasting services in the ocean and climate sciences.
NIM – NIM is a multiscale model designed and developed to globally run at 3-km resolution with a goal to ultimately improve medium-range weather forecasts. The weather model software was designed to explicitly permit convective cloud systems without cumulus parameterizations typically used in models run at coarser scales.
ROMS – ROMS is software used to model how a given region of the ocean responds to physical forcings such as heating or wind. It can also be used to model how a given ocean system responds to inputs like sediment, freshwater, ice, or nutrients, requiring coupled models nested within the ROMS framework.