$SYSTEM
$SYSTEM group (optional)
This group provides global control information for
your computer's operation. This is system related input,
and will not seem particularly chemical to you!
- TIMLIM
- = time limit, in minutes. Set to about 95 percent
of the time limit given to the batch job so that
GAMESS can stop itself gently. (default=600.0)
- MEMORY
- = establishes the maximum memory which your job
can use. Some systems allocate just this amount
dynamically, others impose a static upper limit.
The default causes allocation of a system
dependent, moderate amount. For many systems
this amount is 750,000 words. (default=0)
- KDIAG
- = diagonalization control switch
- = 0 use a vectorized diagonalization routine
if one is available on your machine,
else use EVVRSP. (default)
- = 1 use EVVRSP diagonalization. This may
be more accurate than KDIAG=0.
- = 2 use GIVEIS diagonalization
(not as fast or reliable as EVVRSP)
- = 3 use JACOBI diagonalization
(this is the slowest method)
- COREFL
- = a flag to indicate whether or not GAMESS
should produce a "core" file for debugging
when subroutine ABRT is called to kill
a job. This variable pertains only to
UNIX operating systems. (default=.FALSE.)
the next three refer to parallel GAMESS
- BALTYP
- = parallel load balence scheme for integral
sections. Choose LOOP to pick the inner
most loop for parallelization, and NXTVAL
to parallelize near the outer loop. The
best strategy for equal speed processors
is LOOP, whereas NXTVAL will give better
load balance for mixed processors. The
default is NXTVAL on machines using TCGMSG.
- XDR
- = a flag to indicate whether or not messages
should be converted into a generic format
known as external data representation.
If true, messages can exchange between
machines of different vendors, at the cost
of performing the data type conversions.
(default=.FALSE.)
On machines which do not use TCGMSG (the
IBM SP2, the Intel Paragon, the CM-5), the
BALTYP and XDR variables are ignored. LOOP
balancing is used exclusively, and there is
no possible transfer of data to another
vendor so XDR is irrelevant.
- PTIME
- = a logical flag to print extra timing info
during parallel runs. This is not currently
implemented.
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