Subject: trouble with large calculations in G98

From: Damian A Scherlis Perel <[email-masked]>
Date: Tue, 12 Nov 2002 11:47:49 -0500 (EST)

Hi,

 I'm trying to perform MP2 calculations on some big system, but
 Gaussian stops with the following lines at the end of the log file:

 Disk-based method using O(N**2) memory for  9 occupieds at a time.
 Estimated scratch disk usage=  1557843486 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 29 30 31 32 33 34 35 36 37 38 39 40
 IMap= 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60
 IMap= 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80
 IMap= 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97
 Actual    scratch disk usage=  1555753214 words.
Erroneous write during file extend. write 32767 instead of 4096
Probably out of disk space.

 However, the disk where I write the scratch files
 is only 20% full or less. Is there any way to prevent this
 stop from happening?
 Thanks a lot,

 ------------------------
 Damian Scherlis
 Department of Materials Science & Engineering
 Massachusetts Institute of Technology
 [email-masked]
 617 253 6026