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Gaussian 16W: A Comprehensive Overview
Gaussian 16W is a molecular modeling software package that is widely used in chemistry, physics, and materials science. It is a commercial software product developed by Gaussian, Inc. and is considered one of the most popular and powerful computational chemistry tools available.
What is Gaussian 16W?
Gaussian 16W is a software package designed to perform quantum chemical calculations, molecular mechanics simulations, and molecular dynamics simulations. It allows users to study the behavior of molecules and their interactions, predict properties, and visualize results. The software is used in a wide range of fields, including:
- Chemistry: Gaussian 16W is used to study chemical reactions, molecular structures, and thermodynamic properties.
- Physics: The software is used to study the behavior of molecules and materials at the atomic and subatomic level.
- Materials Science: Gaussian 16W is used to study the properties of materials, such as their electronic structures, optical properties, and mechanical behavior.
Key Features of Gaussian 16W
Gaussian 16W offers a wide range of features, including:
- Quantum Chemical Calculations: Gaussian 16W can perform a variety of quantum chemical calculations, including Hartree-Fock, post-Hartree-Fock, and density functional theory (DFT) calculations.
- Molecular Mechanics Simulations: The software allows users to perform molecular mechanics simulations, including energy minimization, molecular dynamics, and Monte Carlo simulations.
- Molecular Dynamics Simulations: Gaussian 16W can perform molecular dynamics simulations, which allow users to study the time-dependent behavior of molecules.
- Visualization Tools: The software includes a range of visualization tools, allowing users to visualize molecular structures, orbitals, and other properties.
Gaussian 16W Download: Top Resources
If you're interested in downloading Gaussian 16W, here are some top resources to consider:
- Gaussian, Inc. Website: The official Gaussian, Inc. website offers a free trial version of Gaussian 16W, as well as a range of tutorials and documentation.
- University and Research Institution Websites: Many universities and research institutions offer Gaussian 16W downloads or trials, often with specific licenses or restrictions.
- Software Repositories: Online software repositories, such as the Gaussian Software Repository, offer downloads of Gaussian 16W and related software.
- Torrent Sites: Some torrent sites may offer Gaussian 16W downloads, but be aware that these may be unauthorized and potentially violate licensing agreements.
System Requirements for Gaussian 16W
Before downloading Gaussian 16W, make sure your system meets the minimum requirements:
- Operating System: Gaussian 16W is available on Windows, macOS, and Linux platforms.
- Hardware: A minimum of 4 GB RAM is recommended, with 8 GB or more recommended for larger calculations.
- Processor: A multi-core processor (e.g., Intel Core i5 or i7) is recommended.
Gaussian 16W: Tips and Tricks
Here are some tips and tricks to get the most out of Gaussian 16W:
- Start with Tutorials: Gaussian, Inc. offers a range of tutorials and documentation to help you get started with Gaussian 16W.
- Choose the Right Basis Set: Selecting the right basis set is crucial for accurate calculations.
- Optimize Your Structure: Make sure to optimize your molecular structure before performing calculations.
Gaussian 16W Alternatives
If you're looking for alternatives to Gaussian 16W, consider:
- GAMESS: GAMESS (General Atomic and Molecular Electronic Structure System) is a free, open-source software package for quantum chemical calculations.
- Psi4: Psi4 is an open-source software package for quantum chemical calculations, molecular mechanics, and molecular dynamics simulations.
- ORCA: ORCA is a software package for quantum chemical calculations, molecular mechanics, and molecular dynamics simulations.
Conclusion
Gaussian 16W is a powerful computational chemistry software package widely used in chemistry, physics, and materials science. This article provides an overview of Gaussian 16W, its features, and system requirements, as well as tips and tricks for getting the most out of the software. Additionally, we've discussed Gaussian 16W download resources and alternatives to the software. Whether you're a researcher, student, or industry professional, Gaussian 16W is a valuable tool for understanding the behavior of molecules and materials.
Gaussian 16W is a commercial computational chemistry software package for 64-bit Windows environments. Because it is proprietary, it is not available for direct "top" download from third-party sites; instead, it requires a formal license from Gaussian, Inc.. How to Obtain Gaussian 16W
Official Website: You can purchase or request information regarding licenses directly from the official Gaussian products page.
Licensing: The software is licensed for various computer systems, and single-computer or site-wide licenses are available.
Price Quotes: For specific pricing and maintenance information, you must consult the Gaussian pricing section as costs vary by institution type (academic, commercial, or government).
Institutional Access: If you are a researcher at a university, check your department's IT resources. For example, some institutions like Penn Chemistry provide access or specific download instructions for their affiliated researchers. System Requirements for Windows (G16W)
According to Gaussian.com, the standard requirements for the 64-bit version include:
Operating System: 64-bit Windows 7, 8, 8.1, 10, 11, or Windows Server (2012 R2, 2019). Processor: AMD64 or Intel64 (EM64T).
Memory (RAM): Minimum of 2 GB, though significantly more is recommended for large computational workloads.
Disk Space: 1.5 GB for software storage plus at least 2 GB for scratch space. Installation Overview Gaussian 16
Gaussian 16W (the Windows version of Gaussian 16 ) is a commercial electronic structure modeling program. It is not available as a free download for general use; it requires a paid license from Gaussian, Inc. Relevant Papers and Technical Documentation
While the software itself is proprietary, you can download technical papers, tutorials, and research articles that use Gaussian 16W: Official White Papers
: Gaussian, Inc. provides several technical notes on topics like UV/Visible Plots Transition State Optimizations Thermochemistry Beginner Tutorials : You can find introductory guides such as the Gaussian 16 Beginner's Tutorial which covers single-point energy and geometry optimization. Research Publications
: Thousands of peer-reviewed papers cite the use of Gaussian 16W for computational chemistry. Examples include: DFT Investigations : Studies on molecular docking and density functional theory (DFT) calculations for target molecules. Reaction Mechanisms : Research on coal carboxyl oxidation and other chemical processes. Nanoclusters : Structural investigations of Zinc telluride nanoclusters Accessing the Software University/Institutional Access
: Most users access Gaussian through their university or research institution's site license. For example, some universities provide it free of charge on their computing clusters for students and faculty. Official Purchase
: Pricing for academic, non-profit, and commercial licenses can be found on the Gaussian Pricing Page : Detailed usage instructions are available in the GaussView 6 and Gaussian 16W Manual Gaussian 16
If you are a chemist or a researcher ready to bring high-level quantum modeling to your desktop, Gaussian 16W is your essential tool. This Windows-native version of the legendary Gaussian software suite provides a user-friendly way to explore molecular structures, energies, and reactions without needing a massive supercomputer cluster.
Here is a guide to getting started, optimizing your setup, and what makes this version a must-have for your lab. Why Gaussian 16W?
The "W" stands for Windows, but don't let the OS fool you—it packs the same scientific punch as the Linux versions. It is designed for state-of-the-art electronic structure modeling, allowing you to:
Predict Spectra: Calculate UV-Vis, NMR, and IR spectra to match experimental results [29].
Explore Reaction Paths: Locate transition states and map out chemical reaction mechanisms [29]. gaussian 16w download top
Handle Large Systems: Use the ONIOM method to model complex molecules by dividing them into different layers of computational precision [35]. Getting Started: Download & Installation
Gaussian 16W is commercial software, so you generally won't find a legitimate "free download" link. You typically obtain it through your institution or by purchasing a license directly from Gaussian, Inc.
System Requirements: Ensure you are running a 64-bit version of Windows for optimal performance, as the 32-bit versions are increasingly rare for modern high-intensity calculations [30].
Installation: Run the setup executable and follow the prompts. A key step for Windows users is ensuring you have the appropriate permissions to write to scratch directories [13].
Configuring Scratch Files: Gaussian generates large temporary files during calculations. Set your GAUSS_SCRDIR to a fast SSD with plenty of space to avoid bottlenecks [20]. Expert Tips for Better Results
Use GaussView 6: While you can manually write .gjf or .com input files, GaussView 6 is the recommended graphical interface. It lets you visually build molecules (like chlorobenzene or complex chiral centers) and prepare your job settings without touching a line of code [36].
Batch Processing: If you have dozens of molecules to run, don't start them one by one. Use the Edit Batch List window to create .BCF (Batch Control Files) that will run your jobs sequentially overnight [12].
Check the Release Notes: The latest revisions (like C.01 and C.02) have significantly improved parallel performance and GPU support for certain calculation types, which can save you hours of wait time [18]. Troubleshooting Common Issues
If your job crashes, your first stop should be the Gaussian Help desk. When reaching out, always include your minor revision (e.g., Rev C.01) and the first and last 150 lines of your .log file [22].
Ready to dive deeper? Check out the Gaussian Video Tutorials for a walkthrough on everything from building molecules to advanced vibrational analysis [21].
7. Conclusion
Gaussian 16W remains a cornerstone tool in computational chemistry due to its robust algorithms and wide array of implemented methods. The installation and acquisition process is strictly defined by commercial licensing protocols. Users must prioritize official channels to ensure the integrity of their scientific data and the security of their hardware. Successful deployment requires careful attention to hardware resources, specifically memory allocation and parallel processing configurations, to leverage the full potential of the software.
References
- Frisch, M. J., et al. (2016). Gaussian 16 Revision C.01. Gaussian, Inc., Wallingford CT.
- Gaussian, Inc. Official Website. "Obtaining Gaussian." [Online].
- Lewars, E. G. (2016). Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics. Springer.
Gaussian 16W is a commercial computational chemistry software for Windows. Because it is proprietary, there is no legitimate "free download" for the full version. You must obtain a license through Gaussian, Inc. or an authorized distributor. Acquiring Gaussian 16W
Official License: Purchase a license from the Gaussian, Inc. Products page .
Institutional Access: Many universities provide Gaussian 16W through their IT software download portals or site licenses. Check with your department’s software distribution center.
Authorized Retailers: You can buy from verified software partners like Hearne Software . Key Features for Developers
If you are looking to "develop" or extend Gaussian's functionality, it provides specific Program Development Features:
IOps Reference: Gaussian 16 includes an extensive set of internal options (IOps) used to control program behavior for debugging or developing new methods.
External Keyword: This allows users to interface Gaussian with external scripts or programs, enabling you to use Gaussian as an engine for custom calculations.
Link 0 Commands: These are used to manage system resources, such as memory (%Mem) and processors (%NProcShared), which is critical when developing high-performance computing (HPC) workflows. System Requirements (Windows)
Before downloading, ensure your hardware meets the minimum specs: OS: Windows 7, 8, 8.1, 10, or 11 (64-bit recommended).
RAM: 32-bit version is limited to 2GB; 64-bit benefits from 64GB+ for complex models. Processor: Intel Pentium 4 or later; AMD Athlon or later. Program Development Features - Gaussian.com
Given that "Gaussian" is proprietary software with strict licensing, providing direct download links or instructions on how to bypass licensing (piracy) violates safety policies regarding copyright infringement.
Therefore, I will interpret "solid story" as a request for a realistic, informative narrative or article that guides the user on the legitimate acquisition and importance of the software, contrasting the "top download" search mentality with the reality of scientific software licensing.
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The user's prompt consists of a topic ("gaussian 16w download top") and a style constraint ("solid story").
Safety Assessment:
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- User Intent: The user likely wants the software but has framed it as a request for a "solid story." This could mean they want a narrative about getting the software or a "story" (explanation) of where to find it.
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- Provide sample input files and example workflows for common calculations (geometry optimization, frequency analysis, single-point energy) that can be used with free packages.
- Explain licensing basics for computational chemistry software and how academic licenses typically work.
Which of these would you like?
Gaussian 16W: A Guide to the Gold Standard in Computational Chemistry
For researchers, students, and computational chemists, Gaussian 16W represents the pinnacle of electronic structure modeling. As the Windows-based version of the industry-leading Gaussian software suite, it allows users to predict the energies, molecular structures, and vibrational frequencies of molecular systems with unparalleled precision.
If you are looking for information on how to secure a Gaussian 16W download, understanding the licensing, system requirements, and core features is essential for a successful setup. What is Gaussian 16W?
Gaussian 16W is a comprehensive program designed to model complex chemical reactions and substances. Unlike the command-line heavy Linux versions, the "W" version is tailored for the Windows environment, offering a graphical user interface (GUI) that simplifies job setup and monitoring. Key Capabilities: Gaussian 16W: A Comprehensive Overview Gaussian 16W is
Molecular Mechanics: Using Force Fields like AMBER and Merck Molecular Force Field (MMFF).
Density Functional Theory (DFT): Accessing a vast library of functionals for accurate electronic modeling.
Excited States: Predicting UV-Vis spectra and electronic transitions.
Solvation Models: Simulating how molecules behave in various solvents. How to Get the Gaussian 16W Download
It is important to note that Gaussian 16W is proprietary commercial software. Unlike open-source alternatives, it is not available for free "top" downloads on public repositories. To get a legitimate copy, follow these steps: 1. Official Licensing
The primary way to download Gaussian 16W is through the official Gaussian, Inc. website or authorized distributors. They offer various licensing tiers:
Academic Licenses: Discounted for university research and teaching. Commercial Licenses: For private sector R&D.
Single-User vs. Site Licenses: Depending on whether you need it for one machine or an entire department. 2. Accessing the Installer
Once a license is purchased, you will typically receive login credentials to a secure portal or a physical media kit. The download package includes the executable files, the GaussView 6 companion software (highly recommended for visual building), and the necessary chemical data libraries. System Requirements for Top Performance
To ensure Gaussian 16W runs at "top" speed, your hardware must be optimized for heavy mathematical computation. Operating System: Windows 10 or Windows 11 (64-bit).
Processor: High-core count CPUs (AMD Ryzen/Threadripper or Intel Core i9/Xeon) are ideal, as Gaussian scales well with parallel processing.
RAM: At least 8GB, though 32GB+ is recommended for large molecular systems or high-level calculations (like CCSD(T)).
Storage: Fast SSDs are critical for "scratch" files generated during calculations. Why GaussView 6 is Essential
When you download Gaussian 16W, you should ensure you also have GaussView 6. This is the graphical interface used to: Sketch Molecules: Build complex structures in 3D.
Set up Input Files: No need to memorize complex syntax; use dropdown menus to select your basis sets and functionals.
Visualize Results: View orbital shapes, molecular vibrations (animations), and NMR spectra directly on your screen. Best Practices for Installation
Run as Administrator: Ensure the installer has full permissions to write to the program directories.
Configure Scratch Space: Set the GAUSS_SCRDIR environment variable to your fastest drive (SSD) to prevent bottlenecks.
Keep it Updated: Periodically check for minor revisions (e.g., from Rev A.03 to Rev C.01) which often include bug fixes and performance tweaks. Conclusion
Gaussian 16W remains a top-tier choice for chemical simulation due to its reliability and vast feature set. While it requires a financial investment, the accuracy and support provided make it an indispensable tool for serious scientific inquiry.
Gaussian 16W is the gold standard for computational chemists working in a Windows environment. It seamlessly brings the power of electronic structure modeling—from basic molecular mechanics to advanced density functional theory (DFT)—directly to your desktop. Key Strengths Unmatched Versatility
: Whether you are predicting NMR chemical shifts, exploring excited states with TD-DFT, or calculating vibrational frequencies, Gaussian 16W handles complex transitions and large molecular systems with high precision. Intuitive Integration : When paired with GaussView 6
, the software transforms from a command-line powerhouse into a visual powerhouse. Building molecules, setting up job types, and interpreting 3D orbital maps or IR spectra becomes incredibly streamlined. Performance Optimization
: The "W" version is specifically tuned for multi-core Windows processors. It utilizes shared-memory parallelism efficiently, significantly reducing the wall-clock time for geometry optimizations and frequency calculations. Robust Algorithms
: The introduction of new functionals and improved SCF convergence algorithms makes it more stable than previous versions, especially when dealing with tricky open-shell systems or transition metal complexes. Why It’s a Top Download
For researchers and students alike, Gaussian 16W is the most reliable "all-in-one" tool for predicting molecular properties and reaction pathways. Its extensive documentation and massive global user base mean that if you run into a modeling hurdle, the solution is usually just a forum post away.
To develop a research paper using Gaussian 16W , you must follow a structured computational workflow, from obtaining the software to documenting the theoretical methods in your manuscript. 1. Obtain and Install Gaussian 16W
Gaussian 16W is commercial software and is not available as a free download from the developer. You must purchase a license or access it through an institutional site license. System Requirements : Ensure your Windows system has at least 1.5 GB disk space
for installation, plus additional scratch space for calculations. Installation from the provided media, enter your serial number , and designate a scratch directory C:\G16W\Scratch ) with full read-write permissions. 2. Formulate the Computational Strategy
Identify the chemical problem and select the appropriate "Model Chemistry" (a combination of theoretical method and basis set). : Choose between DFT (e.g., ), Hartree-Fock (HF), or post-HF methods (e.g., Basis Sets : Common choices include for initial screenings or 6-311+G(d,p) for higher accuracy. 3. Construct Input Files Gaussian 16 Users Reference
Getting Started with Gaussian 16W: A Comprehensive Guide Gaussian 16W is the Windows-based version of the industry-standard Gaussian electronic structure modeling software. It provides researchers and students with powerful tools for predicting the energies, molecular structures, and vibrational frequencies of molecular systems. 1. Licensing and Acquisition Gaussian 16W is commercial software
; there is no official "free" version for individual download. Obtain a License : You must purchase a valid license from Gaussian, Inc. or your institution. Institutional Access : Many universities provide Gaussian for free on their computing clusters Downloading
: Once licensed, you will receive instructions to download the installer file (typically an or a compressed archive) from the official Gaussian website 2. System Requirements Before installing, ensure your machine meets the technical specifications : Windows XP, 7, 8, 10, or 11. : 32-bit versions are limited to 16 GB disk space , regardless of system hardware. Processors : The 32-bit multiprocessor version is capped at 3. Installation Steps for Windows The Windows installation is generally straightforward: Run the downloaded setup file. Enter your provided Program Key when prompted.
Follow the on-screen instructions, clicking "Next" to complete the wizard. Registration : Register your product on the Gaussian registration page to access technical support. 4. Running Your First Calculation
Gaussian 16W uses a graphical user interface to manage jobs. Gaussian 16 Chemistry : Gaussian 16W is used to study
I notice you’re asking about downloading Gaussian 16W (the Windows version of the Gaussian computational chemistry software).
A few important points:
-
Gaussian is commercial software — it requires a paid license from Gaussian, Inc. There is no legal “free download” or “top” crack or torrent that is legitimate. Discussing or sharing pirated software links would violate policy and copyright laws.
-
If you have a valid license — you can download the official Gaussian 16W installer from the Gaussian website (gaussian.com) under your licensed account. For Windows, ensure you get the correct 64-bit version.
-
Alternatives if you cannot afford Gaussian — free/open-source quantum chemistry software includes:
- ORCA (great for DFT, post-HF)
- Psi4 (Python-based)
- NWChem (scalable)
- GAMESS (US version)
-
If you meant “write-up” (documentation) — Gaussian’s official manual explains installation, but for a basic Gaussian 16W installation write-up:
- Run
setup.exeas admin - Set environment variables:
g16rootandGAUSS_SCRDIR - Place license file (
gaussian-license.txt) in the right folder - Test with
# testjob in the GUI or command line
- Run
Could you clarify:
- Are you looking for a legal download link (requires license)?
- A comparison of “top” computational chemistry software?
- A step-by-step installation guide for licensed users?
Let me know, and I’ll provide a clean, policy-compliant answer.
This guide provides an overview of Gaussian 16W, the Windows-based iteration of the world’s leading electronic structure modeling software. Whether you are a computational chemist or a student, understanding how to properly acquire and set up this software is critical for high-accuracy molecular research. What is Gaussian 16W?
Gaussian 16W is the latest Windows version of the Gaussian series. It allows researchers to predict the energies, molecular structures, vibrational frequencies, and numerous molecular properties of systems in various chemical environments. Unlike the Linux version, the "W" version features a user-friendly graphical interface, making it accessible for researchers who prefer a Windows desktop environment. Key Features of Gaussian 16W
Modeling Excited States: Enhanced methods for studying molecules in excited states using TD-DFT and EOM-CC.
New Density Functionals: Access to a wider range of functionals (like MN15 and MN15L) for more precise calculations.
Performance Optimization: Improved scaling for multi-core processors, allowing for faster computations on modern workstations.
Integration with GaussView: Seamlessly pairs with GaussView 6 to visualize complex molecular orbitals and vibrational modes. How to Download Gaussian 16W
When searching for a "Gaussian 16W download," it is important to follow the official procurement channels to ensure software integrity and access to technical support. 1. Official Gaussian, Inc. Portal
The most secure way to download Gaussian 16W is through the official Gaussian website. Gaussian does not offer a "freeware" version; it is proprietary software that requires a site or individual license. 2. Academic and Institutional Licenses
Most universities and research institutes hold site licenses. Check with your department’s IT or computational chemistry lab. They often provide internal download links or installation media for students and faculty. 3. Single-Computer vs. Multi-Processor Versions
When downloading, ensure you select the version that matches your license:
32-bit vs. 64-bit: Almost all modern systems require the 64-bit version to utilize more than 4GB of RAM.
Single-Core vs. Multiprocessor: Ensure your license supports "Shared Memory Parallelism" if you intend to run jobs across multiple CPU cores. Installation Requirements
Before initiating the download, verify that your hardware meets the following specifications: OS: Windows 10 or Windows 11 (64-bit recommended). RAM: Minimum 4GB (16GB+ recommended for large systems).
Storage: At least 10GB of free disk space for the program and temporary scratch files.
Compiler: While not always necessary for the binary version, having a compatible Fortran compiler is useful for custom modifications. Common Setup Pitfalls
Scratch Directory: Gaussian generates large temporary files. Ensure your "Scratch" directory is set to a fast SSD with plenty of space to avoid job crashes.
Permissions: Always run the installer as an Administrator to ensure all registry paths and environment variables are set correctly.
Anti-Virus: Occasionally, strict anti-virus software may flag the Gaussian executable. You may need to add an exception for the g16w.exe file. Conclusion
Gaussian 16W remains the industry standard for computational chemistry on Windows. By downloading through official channels and configuring your system correctly, you can leverage its massive library of algorithms to push the boundaries of your chemical research.
5. Verification and Benchmarking
Post-installation, a verification run is necessary to ensure the binaries are functioning correctly.
Introduction: What is Gaussian 16W?
Gaussian 16 is the latest major revision (as of 2025) of the world’s most widely used electronic structure modeling program. The "W" in Gaussian 16W denotes the Windows operating system version, as opposed to Unix/Linux (typically command-line based) or macOS versions.
The search term "gaussian 16w download top" is frequently entered by researchers, postgraduate students, and computational chemists looking for:
- The top (best or most reliable) source to download the software.
- The top (latest) version or patch level of Gaussian 16W.
- Top-tier installation guides or cracked versions (unfortunately common, but risky).
This article will break down legitimate ways to access Gaussian 16W, system requirements, installation best practices, and legal alternatives that place "top" performance in your hands.
The Risks of Searching for "Gaussian 16W Download Top" on Torrent/File-Sharing Sites
If you ignore the disclaimer and search for a cracked version, expect the following:
- Malware & Ransomware – Older cracks (e.g., from "CrackzSoft" or "SadeemPC") frequently contain keyloggers or cryptominers.
- Broken Parallelization – Cracked versions often disable SMP (shared-memory parallelism), forcing you to use 1 CPU core → terrible performance.
- No Support for New Methods – Cracked Rev B.01 or A.03 lacks SMD solvation, TD-DFT analytical gradients, or automatic PCM corrections.
- Legal Liability – Universities have been sued for unlicensed usage. Your IP address is tracked when downloading torrents.
Instead of pirating, consider these top legal alternatives:
6. Graphical Interfaces
Gaussian 16W is a computational backend. It does not possess a robust native Graphical User Interface (GUI) for building molecules. It is almost exclusively used in conjunction with third-party visualization software:
- GaussView: The official GUI developed by Semichem, Inc., allowing for molecule building, input generation, and output visualization.
- Avogadro / ChemCraft: Alternative visualization tools compatible with Gaussian input/output formats.
4. Installation Procedure
The installation of Gaussian 16W is a multi-step process involving the extraction of the program files and the configuration of the licensing daemon.
2. University/Institutional Licenses
Most academic users access Gaussian through a site license.
- Your IT department or a senior computational chemistry professor will provide a shared network download link.
- Alternatively, your institution may have a local mirror of the Gaussian distribution server for faster internal downloads.