Understanding restart_freq option

[Nandan]

Hi,

I have been trying to use the restart_freq = .true. option because I always
run out of time on the HPC queue.

I was wondering whether this option can be used multiple times for a single
calculation to finally complete the calculation. For example,
run the job in 4 hour queue, 4 times one after the other to complete
the interpolation.

Thanks and regards,

Nandan.

[sponce]

Hello,

Yes, it is the idea.

For example,

Code: Select all

  restart = .true.
  restart_freq = 500

This means that every 500 q-points, a restart point will be written.
If you restart the calculation and keep the restart files, then it will restart from the latest restart point written.

Best,

Samuel

[Nandan]

Thanks.

So in case of restarting a job third time,
should the earlier 2:

XXX.sigma_restart1

files be saved?

It seems that even if there is already a XXX.sigma_restart1 file,
it is over written when the jobs is restarted.

Regards,

Nandan.

[sponce]

Hello,

Yes only the last XXX.sigma_restart1 should be kept.

The file is read and then over-written at the next restart point.

Best,

Samuel

[Nandan]

Hi,

Thanks you,

Nandan.