9.6 MOLPRO system parameters (GPARAM)

The GPARAM card allows to change MOLPRO system parameters. This should only be used by experts!

GPARAM,option=value,$\ldots$

The following options can be given in any order.

NOBUFF

if present, disable system buffering

LSEG

disk sector length

INTREL

number of integer words per real word (should never be modified!)

IBANK

number of memory banks. Default is 2, which should always be o.k.

IVECT

0=scalar, 1=vector machine

MINVEC

minimum vector length for call to mxmb

LTRACK

page size in buffer routines (must be multiple of lseg)

LENBUF

length of integral buffer (file 1)

NTR

length of integral records (must be multiple of $3 \cdot$ltrack)

LTR

disk sector length assumed in CI (default 1 is reasonable)

NCACHE

machine cache size in bytes

IASYN

if nonzero, use asynchronous I/O on CONVEX

MXMBLK

column/row block size for mxma

MXMBLN

link block size for mxma

NCPUS

maximum number of cpus to be used in multitasking

MINBR1

min number of floating point ops per processor

MXDMP

highest file number to be treated as dump file with full functionality ($1 \le.$ MXDMP$\le.3$).

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!