CCL:G: About checkpoint problems after using GaussView 5.0
- From: "Daniel Morales Salazar"
- Subject: CCL:G: About checkpoint problems after using GaussView
- Date: Mon, 23 May 2016 15:05:47 -0400
Sent to CCL by: "Daniel Morales Salazar"
Typically I send my jobs using Gaussian 09 by creating text scripts in
the batch mode using UNIX's vi editor. Lately, SLURM gives my jobs
extremely low priorities. I then decided to try the interactive mode,
which allows me to use computational time for shorter times. I do not
know how to use scripts in the interactive mode so I decided to use
Gaussview 5.0.8 to send my jobs. Whenever I want to restart those jobs
(given that the interactive session closes), the checkpoint files are
corrupted in like 99% of the cases. I get the following message:
"$ module load gaussian/g09.d01
$ module load gaussian/gv-5.0.8
$ formchk file.chk file.fchk
Read checkpoint file file.chk
Write formatted file file.fchk
Missing data for FChkPn.
Error termination via Lnk1e at Mon May 23 20:32:58 2016.
Segmentation fault (core dumped)"
In the few cases that formchk works, when I try to visualize the
checkpoint file in Gaussview, a message like this one appears:
"CConnectionGFCHK::Parse_GFCH() Missing or bad data: Alpha Orbital
Energies Line Number 574"
The checkpoint files get corrupted even when re-sending the jobs using
the interactive mode. I have tried reading into the issue but I can't
find any input online. Does this have to do with the fact that the check
point file is only usable in the specific cores I was assigned when
starting the job? can anybody help me solving this issue please?