AMSOL for Cray Y-MP
Regarding Kevin Moore's query for an AMSOL version portable to the Y-MP,
the version currently distributed by QCPE (3.0.1) was tested on the San Diego
Y-MP and found to perform satisfactorily.
QCPE has cataloged AMSOL 3.0.1 as program 606. The following details on
portability are included, as appearing in the QCPE Bulletin:
AMSOL-version 3.0.1 is written in FORTRAN 77 with the INCLUDE extension.
It has been tested on Cray-2, Cray X-MP-EA, and Cray Y-MP computers with the
UNICOS 6.1 and 6.1.5a versions of Unix and the cft77 compiler, on an IBM
RS/6000 workstation with the AIX Unix operating system version 3.1.5, on a
Sun SparcStation 4/330 with the SunOS operating system 4.0.3, and on an IRIS
4D workstation with the IRIX Unix operating system version 4.0.1. It is
distributed as a set of 108 files, including C shell scripts for compiling
and linking, for interactive job submission, and for submitting batch jobs
under the NQS queuing system. The distribution also includes a brief on-line
manual (ASCII documentation file), which assumes that the user is familiar
with AMPAC, a 40-run test suite, and a set of subroutines with Cray library
calls which may be used to make a partially optimized Cray version, called
version 3.0.1c. AMSOL-versions 3.0.1 and 3.0.1c are unlicensed.
Christopher J. Cramer
University of Minnesota
Department of Chemistry
207 Pleasant St. SE
Minneapolis, MN 55455-0431