7.6 MOLPRO system parameters (GPARAM)
The GPARAM card allows to change MOLPRO system parameters.
This should only be used by experts!
The following options can be given in any order.
- if present, disable system buffering
- disk sector length
- number of integer words per real word (should never be modified!)
- number of memory banks. Default is 2, which should always be o.k.
- 0=scalar, 1=vector machine
- minimum vector length for call to mxmb
- page size in buffer routines (must be multiple of lseg)
- length of integral buffer (file 1)
- length of integral records (must be multiple of ltrack)
- disk sector length assumed in CI (default 1 is reasonable)
- machine cache size in bytes
- if nonzero, use asynchronous I/O on CONVEX
- column/row block size for mxma
- link block size for mxma
- maximum number of cpus to be used in multitasking
- min number of floating point ops per processor
- highest file number to be treated as dump file with full functionality ( MXDMP).
The MXDMP option is for experts only! This prevents basis and geometry information from being written to
dump files with higher file number than the given value, and can sometimes be useful for counterpoise
corrected geometry optimizations. Note that some functionality is lost by giving this option, and errors
will result unless all input is correct!