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4.6 Memory allocation

MOLPRO can allocate memory dynamically as required by the user. Thus it is not necessary to maintain different versions of the program with different memory sizes. There are two ways to specify the memory: (1) MEMORY card in MOLPRO input file; (2) option -m or --memory in MOLPRO command line. If memory is specified using both methods at the same time, MEMORY card will take precedence. If both ways areomitted, the program will use a default memory size (currently it is $8000000$ words, i.e. 64000000 bytes). Please note that: (1) memory specification is in words. 1 word is 8 bytes (i.e., the memory size to store one double precision data). (2) memory specification is for each process.



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molpro@molpro.net 2017-12-12