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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 |