Schrödinger Materials Science Partnership a Sign of Things to Come

Schrödinger logoAt Cycle Computing, we've had a long, successful working relationship with the software company Schrödinger. It's always fun when you're #winning – and not the Charlie Sheen way. Rather, together we've been breaking records, advancing meaningful science – and proving out Cloud computing as the future in high performance computing (HPC) for sometime now. It’s about time we formalize the partnership.

The things we have been doing with Schrödinger is not only exciting because of what we’ve done – but more importantly of what it represents as far as capability for the future! Enabling better science – and breaking-records.

Enabling better science

The thing we at Cycle Computing are most proud of is that through partners like Schrödinger Materials Science group, we’re enabling better science. Greater access to computing power is the key. Things like fighting cancer, or developing clean energy products are worthwhile causes that our joint technology is advancing.

While there are a lot of factors that have been driving us beyond the tipping point in Cloud HPC adoption, I believe there are three legs to the stool making it all happen.

  1. Powerful cloud infrastructure (AWS)
  2. Highly accurate, and trusted simulation software (Schrödinger)
  3. Orchestration software to enable the software to run on the Cloud (Cycle Computing)

Setting Records

Sure we’ve been beating our chests lately – and for good reason. The engineering teams at Schrödinger and Cycle Computing have proven out the capabilities and scale of what’s possible on the Cloud. In fact it was really exciting to see Amazon Web Services (AWS) CTO Werner Vogels mention us and the MegaRun at the November re:Invent Keynote address: "Cycle Computing is a really innovative powerhouse that is able to make use of all of the computing capacity that AWS can offer …"

You can view his discussion about it here:

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The summary on MegaRun is that we put together the world’s largest, and fastest Cloud computing run in history – using all available AWS resources (across five continents!) to complete 250+ years of science in under one day! The Rmax peak performance of this system at the time would have been a top 30 supercomputer – and topped out at 1.21 petaFLOPS! Oh, and by-the-way, we reached more than 156,000 sustained cores at the peak to do this.

This topped our previous record 50,000 cores over four continents, and massive cost-savings. You can read more here

What matters most

We push the limits of Cloud technology, our application partners, and ourselves to prove out scale, and capability. But the meaningful work our clients do everyday is no-where near this scale. Scientists and engineers do benefit from these efforts – knowing their everyday Cloud computing runs of 64-6,400 cores will work. It’s a peace-of-mind.

With that – we’re very excited about this partnership with Schrödinger Materials Science. It’s the first of many partnerships to come. After years of learning about applications, Cloud infrastructure, and developing CycleServerTM, CycleCloudTM, and DataMangerTM, it’s exciting to be at the point where application companies, and end users are all working on their Cloud Strategy.

To learn more about using the Schrödinger Materials Science suite on the Cloud, visit

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