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QCPE
THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE
Main / Catalog / Section11
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QCMP030. MOPAC: For the Ryan-McFarland and IBM
Compilers (Version 4.0)
by Jon T. Swanson, Terri A. Miller and James
J. P. Stewart, Frank J. Seiler Research
Laboratory, U.S. Air Force Academy, Colorado
Springs, Colorado 80840
This code is a modification of QCMP019 for
use with either the Ryan-McFarland or IBM
Professional FORTRAN compilers. It has been
tested with Microsoft version 3.31, Ryan-
McFarland version 2.11, and IBM version 1.0.
The Microsoft compiler produces the most
compact code. MOPAC, dimensioned for six
heavy and six light atoms, requires 517 Kb
for Microsoft, 545 Kb for Ryan-McFarland and
545 Kb for IBM. We did not use the compiler
switch on the Ryan-McFarland FORTRAN to
produce 80286/7-specific code; presumably
this would improve performance on an AT.
Microsoft has also announced version 4.0 of
their compiler, which is expected to increase
the speed of their executables.
Requirements for either of these versions are
the same as for the Microsoft version: an
IBM-PC, XT, AT or compatible, at least 512 Kb
of memory (640 Kb is highly recommended) and
at least a 10 Mb hard disk. A coprocessor is
also strongly recommended, as it speeds
performance nine-fold on a PC and five-fold
on an AT. These versions are limited to a
maximum of seven heavy and seven light atoms.
As the executable files generated are about
544640 bytes and cannot be contained on a
single diskette, they are NOT being
distributed with this package.
Ryan-McFarland or IBM Professional FORTRAN
Lines of Code: 18,000
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