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7.6 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!



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