Re: CCL:g98 error



 Dear Eric,
 
What architecture are you running G98 on? If it's a 32-bit platform and not specially (and officially-unsupported-ly) compiled, your SCR, INT, RWF, and D2E files are each limited to 2GB. The number given is probably wraparound error as G98 increments its file pointer past the ~2*2^31 position. You can work around this as follows with Link 0 command:
 
%rwf=rwf01,2047MB,rwf02,2047MB,rwf03,2047MB... and so on, just so you don't total more than 16GB for each of %rwf, %int, %d2e, and %chk.
 
You can also try adding MaxDisk keywords to your route line (# method/basis ... ... MaxDisk=2040MB).
 
I've been bitten by this before, and used both solutions successfully, though the most efficient thing to do would be find a friend at an institution with a 64-bit supercomputer ...
 Good luck!
 Matt Zwier
 Hope College
 Eric Hu wrote:
 
 Hi I am doing a frequency calculation with
 b3lyp/6-31++g**. I got the following error message
 although I have plenty of disk space:
  99 vectors were produced by pass 10.
  99 vectors were produced by pass 11.
  99 vectors were produced by pass 12.
  99 vectors were produced by pass 13.
  99 vectors were produced by pass 14.
  90 vectors were produced by pass 15.
  49 vectors were produced by pass 16.
 Erroneous write during file extend. write 188415
 instead of 4096
 Probably out of disk space.
 Write error in NtrExt1
 Eric