Posted by Valera on April 02, 2007 at 10:35:03:
In Reply to: Re: increase MOLCASDISK value posted by Yang on March 30, 2007 at 17:39:29:
Hi,
: I increased MOLCASDISK to 4GB, but got the following error message.
: DANAME_MF: Requested MaxFileSize is too large!
The simplest solution - is to use 64-bit compilers. In this case the limits for
file size are much bigger.
: Extensions out of range! increase MOLCASDISK value
: or MaxSplitFile in fio.inc
: Could you please tell me what to try next?
If you don't have access to 64 bit machines (like AMD64, or Xeon) and to 64 bit compilers (like Intel, PGI, NAG) - the only option is to increase MaxSplitFile in fio.inc file.
From other hand - the current value of this parameter is 20. So, for your calculation you need more than 40Gb of integrals. May be you can think about decreasing of the basis set...