Re: CCL:G:G94 problem
On Fri, 25 Apr 1997 16:13:05 +0800 Shin-Inn Chen
<shin $#at#$ hermes.fju.edu.tw> wrote:
> dear netters:
> i got error message as below when doing MP2 single-point calculation
> by Gaussian 94. what dose it mean and how to prevent it ?
>
>
******************************************************************************
> Leave Link 801 at Fri Apr 25 15:22:36 1997, MaxMem= 12000000 cpu:
.0
> (Enter /apps/g94/l906.exe)
> FulOut=F Deriv=F AODrv=F
> MMem= 9 MDisk= 28 NDisk1= 8466000
> NDisk= 247048000 MDiskD= 28 NOA= 28
> W3Min= 994840 MinDsk= 1230593 NDisk2= 11627920
> NBas6D= 209 NBas2D= 19920 NTT= 21945
> NDExt= 0 LenExt= 10000000 MDV= 12000000
> MDiskM= 664 NBas2p= 19920
> Disk-based method using OVN memory for 28 occupieds at a time.
> Estimated scratch disk usage= 247048000 words.
> IMap= 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
> IMap= 21 22 23 24 25 26 27 28
> Actual scratch disk usage= 246729597 words.
> Erroneous write. write -1 instead of 4096
> Write error in NtrExt1
>
*******************************************************************************
Hi!
Your problem here is that the MP2 calculation has filled up your disk.
This is a common problem, but it can be easily avoided. You have to use
the keyword MaxDisk to set a limit of how much disk space can be used.
At the moment, the calculation is trying to use 246729597 words of disk
space, or about 1.8 Gb !! If you specify Maxdisk = <no. of words of
scratch space available>, the calculation will run in that amount of
space. E.g., to use 500Mb scratch space, 500Mb = 65,536,000 words, so
enter MaxDisk=65536000 in your route section.
That should solve the problem.
Craig
----------------------
Dr. Craig Wilson (Research Assistant)
School of Chemistry
University of Bristol
BRISTOL BS8 1TH
Phone: 0117 928 9000 x 4711
Email: Craig.Wilson $#at#$ bristol.ac.uk