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\centerline{\bigbf Parallelization of MOPAC}
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\begin{itemize}
\item
MOPAC is a large (360 subroutines, 59,000 lines) computational chemistry
package which uses semi-empirical quantum mechanical methods such as
Hartree-Fock theory to find the structure and properties of molecules
and molecular orbitals.
\item
Chemistry department at Syracuse University has an excellent molecular
electronics group under Bob Birge who use MOPAC extensively, and would
like to study much larger systems. Looking to get a factor of at least
10 speedup over fast RISC workstations.
\item
Most of the computational cost for certain kinds of calculations
(e.g. vibrational analysis, geometry optimization)
comes in solving large (order $10,000 \time 10,000$) eigenvalue
problems. 
\item
Some work on parallelization has been done at San Diego Supercomputer
Center for Intel iPSC/860, with modest speedups for most applications.
\item
We are working to incorporate state-of-the-use parallel
eigenvalue solvers on CM-5, Intel iPSC/860 and Delta, etc.
(Dan Sorensen, Rice University)
\end{itemize}

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