From shin $#at#$ hermes.fju.edu.tw Fri Apr 25 05:38:35 1997 Received: from hermes.fju.edu.tw for shin-: at :-hermes.fju.edu.tw by www.ccl.net (8.8.3/950822.1) id EAA19200; Fri, 25 Apr 1997 04:40:15 -0400 (EDT) Received: by hermes.fju.edu.tw (AIX 3.2/UCB 5.64/4.03) id AA14269; Fri, 25 Apr 1997 16:13:05 +0800 Date: Fri, 25 Apr 1997 16:13:05 +0800 From: shin#* at *#hermes.fju.edu.tw (Shin-Inn Chen) Message-Id: <9704250813.AA14269 /at\hermes.fju.edu.tw> To: chemistry- at -www.ccl.net Subject: G94 problem 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