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GAUSSIAN WORKSTATION PC


At Titan we’re all geeks, but not the sort of geek who dreams about creating the next metamaterial or winning a Nobel for chemistry, So it was a little shocking to find out that modern chemistry is 90% math and very little “meth”.

Back in the 1970s, right at the beginning of computers becoming practical for mainstream use, it didn’t take chemists long to develop software that would speed up their math exponentially. This branch of chemistry is called computational chemistry and one of the most popular packages is Gaussian.

Hardware Recommendation for Gaussian


It Does Compute!
Gaussian is a pioneering software package in the field of computational chemistry. It was first released in 1970, when the typical scientific computer required a truck to transport it anywhere. Today we’re up to version 16 and luckily it will work on a workstation small enough to fit on a desk, or even a workstation laptop!

Using Gaussian its possible to perform a staggering number of simulations. Most of which we mere computer geeks at Titan have no hope of understanding. Most importantly, computational chemistry helps to overcome inherent limitations in analytical chemistry, which means the two approaches complement each other.

Computational chemical simulations can help predict chemical reactions and materials. This means much faster progress when developing things like new drugs or materials.

Of course, molecular simulation and all the other complex math that goes into computational chemistry can make mincemeat of even the most powerful computer, so if you’re feeling like a bit of mad science, you’ll have to look towards the upper end of the workstation range.

Titan Computers Recommendation
Gaussian is a CPU frequency and bandwidth driven application and perfectly scales on multiple CPUs. Plain simple: the more CPU cores / threads you use the better performance you will get. The actual memory required for a particular problem will depend on the mesh, physical models that are enabled, and domain complexity.
It is important to note that Gaussian performs better with Intel based systems. A good workstation video card is recommended to increase the performance during the interaction with the model.

Operating systems supported by Gaussian
Windows 11 Pro
Red Hat Enterprise Linux (RHEL) 6.4 and 6.5 (64 - bit)
SUSE Enterprise Linux Server and Desktop (SLES / SLED) 11 SP 2 - SP 3 (64 - bit)

For more information on this application please visit their website at: https://gaussian.com/





LIST OF COMPATIBLE WORKSTATIONS


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Titan S522 - Single 2nd Gen Intel Xeon Scalable Processors Rackmount Server PC for Heavy Calculations up to 28 CPU Cores Titan S522 - Single 2nd Gen Intel Xeon Scalable Processors Rackmount Server PC for Heavy Calculations up to 28 CPU Cores


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4U Rackmount Workstation / Server Computer for:

Data Analysis •
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Starting Price: $3,275.00
Titan W422 - Intel Xeon W-2200 Series Processors Workstation PC for VR Design, Rendering up to 18 CPU Cores Titan W422 - Intel Xeon W-2200 Series Processors Workstation PC for VR Design, Rendering up to 18 CPU Cores


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Intel Xeon W-2200 Series Processors Workstation Computer for:

CAD/CAM • Graphic Design • 3D Modeling • CGI • Computer Animation • Video Editing • Design & Visualization • Gaming

Starting Price: $3,675.00
Titan W522 - Single 2nd Gen Intel Xeon Scalable Processors Workstation PC for Heavy Calculations up to 28 CPU Cores Titan W522 - Single 2nd Gen Intel Xeon Scalable Processors Workstation PC for Heavy Calculations up to 28 CPU Cores


Intel’s latest scalable processor technology is pretty impressive, but most machines that house one of these advanced workstation chips cost a fortune. With the Titan W522 we’re bringing Intek’s scalable technology down to a product smaller organisations can afford. Cutting-edge number crunching technology at everyday prices. What’s not to like?.





2nd Gen Intel Xeon Scalable Processors Workstation Computer for:

3D Rendering • Data Processing • 3D Modeling • CGI • Computer Animation • Video Editing • Design & Visualization • Gaming

Starting Price: $3,765.00
Titan S622  - Single 3rd Gen Intel Xeon Scalable CPUs 4U Rackmount Workstation PC  for AI, HPC, Deep Learning up to 40 CPU Cores Titan S622 - Single 3rd Gen Intel Xeon Scalable CPUs 4U Rackmount Workstation PC for AI, HPC, Deep Learning up to 40 CPU Cores


The world of workstation computing is changing, and the Titan S622 is equipped with the latest processor technology designed to handle whatever the future may throw at you. With cutting-edge security and CPU-based AI acceleration, the S622 equipped with 3rd-generation scalable Intel Xeon CPUs isn’t just up to 43% faster than the previous generation; it’s smarter too.




4U Rackmount Workstation / Server Computer for:

Deep Learning • Data Analysis • AI • Machine Learning • Media / Video Streaming • Cloud Gaming • Animation and Modeling • Design & Visualization • 3D Rendering • Diagnostic Imaging

Starting Price: $4,265.00
Titan W622  Octane - Single 3rd Gen Intel Xeon Scalable Processors Workstation PC  for AI, HPC, GPU Computing up to 40 CPU Cores Titan W622 Octane - Single 3rd Gen Intel Xeon Scalable Processors Workstation PC for AI, HPC, GPU Computing up to 40 CPU Cores


The world of workstation computing is changing, and the Titan W622 is equipped with the latest processor technology designed to handle whatever the future may throw at you. With cutting-edge security and CPU-based AI acceleration, the W622 equipped with 3rd-generation scalable Intel Xeon CPUs isn’t just up to 43% faster than the previous generation; it’s smarter too.





3rd Gen Intel Xeon Scalable Processors Workstation Computer for:

GPU Parallel Computing • Deep Learning • AI • 3D Modeling • Engendering • Computer Animation • Video Editing • Design & Visualization • Gaming

Starting Price: $4,765.00
Titan S90 - Single AMD EPYC Genoa 9004 Series Processors Server Workstation PC up to 96 cores Titan S90 - Single AMD EPYC Genoa 9004 Series Processors Server Workstation PC up to 96 cores


Experience unprecedented power with the Titan S90, a server workstation powered by the AMD EPYC Genoa 9124 processor or better. With options for between 16 and 96 cores, the S90 is designed to easily handle demanding workloads that scale with your needs and budget.





4U AMD EPYC Genoa 9004 Series Rackmount Computer for:

Deep Learning • Data Analysis • AI • Machine Learning • Media / Video Streaming • Cloud Gaming • Animation and Modeling • Design & Visualization • 3D Rendering • Diagnostic Imaging

Starting Price: $5,175.00
Titan S699 - Dual 3rd Gen Intel Xeon Scalable Processors 4U Rackmount Server PC up to 80 cores Titan S699 - Dual 3rd Gen Intel Xeon Scalable Processors 4U Rackmount Server PC up to 80 cores


Introducing the unparalleled Titan S699, a dual 3rd Gen Intel Xeon Scalable Processors 4U Rackmount Server PC, crafted with meticulous attention to detail and designed to deliver up to 80 cores of relentless power and performance.





Dual 3rd Gen Intel Xeon Scalable Series Rackmount Workstation / Server Computer for:

Deep Learning • Data Analysis • AI • Machine Learning • Media / Video Streaming • Cloud Gaming • Animation and Modeling • Design & Visualization • 3D Rendering • Diagnostic Imaging

Starting Price: $5,475.00
Titan W722  Octane - 5th / 4th Gen Intel Xeon Scalable CPUs Gen Intel Xeon CPU Max Series Processors Workstation PC  for AI, HPC, GPU Computing up to 64 CPU Cores Titan W722 Octane - 5th / 4th Gen Intel Xeon Scalable CPUs Gen Intel Xeon CPU Max Series Processors Workstation PC for AI, HPC, GPU Computing up to 64 CPU Cores


The Titan W722 Octane is a masterclass in computing, purpose-built for AI, HPC, and GPU applications, this high-performance workstation does our Octane line of computers proud.





5th / 4th Gen Intel Xeon Scalable CPUs Workstation Computers for:

High Performance Computing • VDI • AI / Deep Learning • Media / Video Streaming • Multi GPU Computing • Animation and Modeling • Design & Visualization • 3D Rendering • Diagnostic Imaging • AI Programing

Starting Price: $5,765.00
Titan W699 - Dual 3rd Gen Intel Xeon Scalable Processors Workstation PC up to 80 cores Titan W699 - Dual 3rd Gen Intel Xeon Scalable Processors Workstation PC up to 80 cores


Introducing the remarkable Titan W699, a dual 3rd Gen Intel Xeon Scalable Processors Workstation PC that's a fusion of innovation and our signature Titan craftsmanship, carefully designed to deliver up to 80 cores of pure, unbridled performance.





Dual 3rd Gen Intel Xeon Scalable CPUs Workstation Computers for:

High Performance Computing • VDI • AI / Deep Learning • Media / Video Streaming • Multi GPU Computing • Animation and Modeling • Design & Visualization • 3D Rendering • Diagnostic Imaging • AI Programing

Starting Price: $5,775.00
Titan A90 Octane - Single AMD EPYC Genoa 9004 Series CPUs Deep Learning / AI Workstation PC up to 96 cores Titan A90 Octane - Single AMD EPYC Genoa 9004 Series CPUs Deep Learning / AI Workstation PC up to 96 cores


The Titan A90 Octane is a single-processor workstation that packs a punch, featuring the AMD EPYC Genoa 9124. This processor operates at 3.0GHz, with a turbo boost of up to 3.7GHz, and boasts 16 cores and 32 threads. The A90 Octane is a powerhouse that can handle up to 96 cores with an upgraded CPU, making it an ideal choice for demanding computational workloads.





AMD EPYC Genoa 9004 Series Workstation Computer for:

Deep Learning • Data Analysis • AI • Machine Learning • Media / Video Streaming • Cloud Gaming • Animation and Modeling • Design & Visualization • 3D Rendering • Diagnostic Imaging

Starting Price: $5,975.00
   
 
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