Subject: G94 problem

From: [email-masked] (Shin-Inn Chen)
Date: Fri, 25 Apr 1997 16:13:05 +0800

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
*******************************************************************************

       thanks for your help :)

e-mail: hermes.fju.edu.tw                               shin 1997/4/25

---

From: "Dr. Craig Wilson" <[email-masked]>
Date: Fri, 25 Apr 1997 16:56:36 +0100 (British Summer Time)

> by Gaussian 94. what dose it mean and how to prevent it ?

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: [email-masked]