CCL:G: Gaussian problem: What is PrismC?
- From: "Roman D. Gorbunov"
<rgorbuno^-^aecom.yu.edu>
- Subject: CCL:G: Gaussian problem: What is PrismC?
- Date: Mon, 3 Dec 2007 12:51:38 -0500
Sent to CCL by: "Roman D. Gorbunov" [rgorbuno++aecom.yu.edu]
Dear CCL Subscribers,
I run a set of similar Gaussian jobs (geometry optimization + normal mode
frequencies calculations for system consisting of 61 atoms). All this
calculations have been finished with the "Normal Termination".
However, I am not able to get "Normal Termination" if I slightly
change the system. I just remove some atoms and add new ones (so that the totals
size of the system increases to 64 atoms).
In the "problematic" case I have no error message. Gaussian just
stops. In the and of the output file I find the following:
Number of processors reduced from 4 to 1 for far-field.
PrismC: NFx= 2048 NFxT= 4 NFxU= 4.
PrismC: NFx= 2048 NFxT= 4 NFxU= 4.
PrismC: NFx= 2048 NFxT= 4 NFxU= 4.
PrismC: NFx= 2048 NFxT= 4 NFxU= 4.
Number of processors reduced from 4 to 1 for far-field.
PrismC: NFx= 2048 NFxT= 4 NFxU= 4.
PrismC: NFx= 2048 NFxT= 4 NFxU= 4.
PrismC: NFx= 2048 NFxT= 4 NFxU= 4.
PrismC: NFx= 2048 NFxT= 4 NFxU= 4.
Number of processors reduced from 4 to 1 for far-field.
PrismC: NFx= 2048 NFxT= 4 NFxU= 4.
PrismC: NFx= 2048 NFxT= 4 NFxU= 4.
PrismC: NFx= 2048 NFxT= 4 NFxU= 4.
PrismC: NFx= 2048 NFxT= 4 NFxU= 4.
It is repeating many times and the Gaussian stops with the following message:
3 vectors were produced by pass224.
Number of processors reduced from 4 to 1 for far-field.
PrismC: NFx= 2048 NFxT= 4 NFxU= 3.
PrismC: NFx= 2048 NFxT= 4 NFxU= 3.
PrismC: NFx= 2048 NFxT= 4 NFxU= 3.
PrismC: NFx= 2048 NFxT= 4 NFxU= 3.
3 vectors were produced by pass225.
Number of processors reduced from 4 to 1 for far-field.
Does any body know what Gaussian try to do here and why it cannot finish that?
Thank you in advance,
Roman