Analysis

Gaussian 09 Software Ported to 64-bit Mac OS X Using PGI Compilers

20th May 2010
ES Admin
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The Portland Group, a wholly-owned subsidiary of STMicroelectronics and leading supplier of compilers for high-performance computing (HPC), today announced that Gaussian, Inc, an ongoing collaboration of scientists and academic research groups throughout the world, used PGI compilers to port a version of its flagship Gaussian 09 product to Intel processor-based Macintosh computers running 64-bit versions of Mac OS X.
PGI develops and markets high-performance C/C++ and Fortran compilers and development tools that are widely used by engineers and scientists, and are designed to extract maximum performance from the latest multi-core processors from Intel and AMD. PGI® Workstation compilers and tools enable building, debugging and profiling of 64-bit multi-core applications on the latest generation of Macs based on processors from Intel and running the Mac OS X operating system.

“A large percentage of academic and government HPC users rely on Macbooks as their mobile computing solution,” said Douglas Miles, director, The Portland Group. “Now that Gaussian 09 is available on Mac OS X as well as on Linux- and Windows-based systems, these HPC developers can use and work on Gaussian 09 anywhere, any time using optimizing PGI Fortran and C/C++ compilers & tools. The potential jump in productivity for these users is huge.”

Gaussian 09 is the latest in the Gaussian series of electronic structure programs. It is used by chemists, chemical engineers, biochemists, physicists and others for research in established and emerging areas of chemical interest. It can be used to study molecules and reactions under a wide range of conditions, including those that produce both stable species and compounds which are difficult or impossible to observe experimentally, such as short-lived intermediates and transition structures.

“Because of Gaussian’s position as one of the preeminent electronic-structures software programs, over the years we have ported it to nearly every HPC platform using nearly every compiler and tool chain available,” said Dr. Michael Frisch, president of Gaussian, Inc. “When we have a choice, we prefer PGI. We have found their dependability and performance to be consistently first rate.”

PGI® compilers are recognized in the HPC community for delivering world-class performance across a wide spectrum of applications and benchmarks, and they are referenced regularly as the industry standard for performance and reliability. PGI compilers and tools are used widely in high-performance computing, the field of technical computing engaged in the modeling and simulation of complex processes, such as ocean modeling, weather forecasting, seismic analysis, bioinformatics and other areas.

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