CCL:G: Disk space error in DoCrtU when optimizing geometry in Gaussian
- From: "Guzman, Francisco" <fg58~!~njit.edu>
- Subject: CCL:G: Disk space error in DoCrtU when optimizing geometry
- Date: Mon, 18 Sep 2017 08:15:51 -0400
I think you can specify multiple scratch directories byt having multiple
RWF files. Try adding something similar to your input file
%rwf=/scratch-dir/file1.rwf, 1900MB, /scratch-dir/file2.rwf, 1900MB,
In this example, 1900MB * 3 = 5,700 MB of scratch space is used.
Not sure what SLURM is, but as long as you have read/write permission in a
directory you can use as scratch, this should work. Else, contact your
local IT Gods.
On Mon, Sep 18, 2017 at 5:32 AM, Maria Dimitrova
maria.dimitrova-x-helsinki.fi <owner-chemistry|a|ccl.net> wrote:
> Sent to CCL by: "Maria Dimitrova"
> I have a fairly big molecule, the structure of which I would like to
> optimise in Gaussian 16.03. The calculation crashes with the error message
> "Not enough space in DoCrtU". It does not mention memory, so I
> refers to disk space instead of RAM memory. How can I specify another
> scratch directory? Do I need to give a certain amount of disk space when I
> submit the job through SLURM?
> Best regards,
> Maria Dimitrova
> maria.dimitrova * helsinki.fi>
Otto H. York Department of Chemical, Biological and Pharmaceutical
New Jersey Institute of Technology