(Received: April 6, 2000; Accepted for publication: June 20, 2000; Published on Web: October 30, 2000)
We have developed a program for first principles DVXa calculations using an object-oriented programming language C++. Based on the program we have also developed a special purpose parallel computer for DVXa calculations , which realizes super high performance and cost-down of large scale DVXa calculation.
The special purpose computer consists one host-board (Sparc Station10/74MHz) and 16 acceleration-boards. 4 TI320C40 processors are equipped on a board. The acceleration-board system has 64 processors connected to each other by VME-bus.
The matrix elements generation step where more than 90% calculation time spends was parallelized on the system. In the case of Si78B6H53cluster, the special purpose computer is almost 40 times faster than that by a lone Sparc Station10 processor. Speed up of the matrix elements generation step is more than 100 times though 64 times is the theoretical maximum. Thus, super-linear speed up has been observed.
Keywords: the First Principles DVXa Calculation, Special Purpose Computer, Object-Oriented Programming, C++, Super-linear Speed up
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