Recently, blade-based high performance cluster wave Tissot TS10000
Computer Successfully settled in Shanxi Normal University. The field of
computational chemistry domestic single most powerful cluster computing
power, the peak reached 10.98 trillion times per second, the field of
computational chemistry is the single most powerful high-performance
computing performance computer, enter the 2009 national high performance
computing TOP100 ranking . The system is fully operational, so that the
efficiency of the school to research the various laboratories had a
"great speed." The calculation of many challenging issues, from
the time-consuming months of "protracted war" has become a
battle within a few days to resolve the high "lightning war."
For Shanxi Normal University has 50 years of history that are the focus
of colleges, and other universities in comprehensive strength of
Competition, the scientific computing and research to make them more
efficient jump straight the spine. Restricted research and
innovation underscores the bottleneck Shanxi Normal University, founded
in 1958, formerly known as Southern Shanxi Teachers College, Shanxi
Normal University was renamed in 1984. Since its establishment, the
school based in Shanxi, serving the entire country, the world, Bing
Chengyu people first, respect for the academic school philosophy, the
innovation Education Practice teaching philosophy of education,
discipline has become relatively complete, more complete training system,
school characteristics more clear-cut, fully open to the community of Key
Provincial Normal University.
Shanxi Normal University in chemistry, materials have a very strong
field strength, 2005? Chemistry published in 2006, the world's
highest impact factor of chemical class paper of similar universities in
the country ranked 16th in the professional. Shanxi Normal University,
the high-performance system is mainly used for computational chemistry,
materials science, high-performance computing work, and also to provide
computing services for the teachers, students, the main application
Software Is Gaussian, MaterialsStudio other quantum chemistry calculation
software and other software. Shanxi Normal but with the
acceleration of scientific research and innovation, vast amounts of
computing tasks start to schools in the existing computing platforms,
"breathe." To this end, the school had purchased some small-
scale computing clusters, but with the various departments, laboratories,
computing tasks increases, the new platform is quickly reached full
capacity. Because many large computational tasks waiting in line and
calculation speed reasons, often take several weeks or even one or two
months of computing time, the resulting project has long been lagging
behind the progress of teachers, students and researchers. Building a
high performance, high reliability, high efficiency also will be large-
scale computing platform, put on the agenda. Test the example, to
see who in the rings before "an assignment"? As the leader in
high performance computing, from the outset to participate in the wave of
high-performance system in Shanxi Normal construction. With early
communication, the wave of understanding the customer's main
application is MaterialsStudio, Gaussian03 and other computational
chemistry packages. Computational chemistry class package, the many types
of computational chemistry software, different software for high
performance Server Have different requirements, which requires HPC
vendors need to build according to customers for the application of HPC
systems. Project early, the customer on a platform of three
Gaussian software for the test examples, test examples according to the
analysis and calculations to determine the program. It is understood that
these three examples is the Gaussian software, the three most commonly
used method to calculate the object's chemical structure is very
complex, one of the test tasks will include 20 960 basis functions
(computational chemistry in the general system of the size of the basis
set functions with a total quantify, the more the number of basis
functions, that the greater the computing system), the computing tasks to
be completed, preliminary estimates of memory capacity required 1687.08GB
and 17947.78TB of Storage Capacity! Large-scale computing tasks such
parameters measured for all vendors and hardware programs to address
capacity is a severe test. With the wave of high-performance application
engineers years deep in the accumulation of scientific
computing, the application characteristics of the Gaussian algorithm was
to delve into, and from the calculation of performance, efficiency, cost
and other angles of view, finding the best Solutions . In the end, after
careful adjustment of hardware and software selection and repeated
optimization of the first wave of applications to complete test report,
but this was the only one in the test report completed before the
deadline. Wave also with a deep understanding of customer applications
and high-performance server Tissot TS10000 overall advantage in this
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