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221. PCILO: CDC 6600 Version
by P. Claverie, J. P. Daudey, S. Diner, Cl. Giessner- Prettre, M. Gilbert, J. Langlet, J. P. Malrieu, U. Pincelli, and B. Pullman, Laboratoire de Chimie Quantique, Institut de Biologie Physicochimique, 13 rue P. et M. Curie, Paris 53, France Modified by R. W. Counts, QCPE This is the same program as QCPE 220. The only changes which have been made to the program are those required by the differences between CDC 6600 FORTRAN and IBM FORTRAN. Certain other differences exist, such as none of the variables are double precision in the CDC 6600 version, and an adjustment in the arrangement of COMMON to accommodate the CDC 6600 has been made. This program required 73,728 decimal words of storage to compile and execute. This represents 220,000 octal words and is the maximum amount of core which was available at QCPE. The program was tested using the ETHANE input shown in the PCILO documentation and yielded results in excellent agreement with those given for the IBM version. FORTRAN IV (CDC 6600) Lines of Code: 2415 Recommended Citation: B. Pullman et al., QCPE 11, 221 (1972). |