specify maxdisk in ricc2

[jbaltrus]

Dear all,

is there a way to specify maxdisk in ricc2? My calculations use up all of the 500 Gb on the compute node and naturally crash

thanks

Jonas

[Hauke]

I don't know of any (but that doesn't mean that such possibility doesn't exist), but maybe the "workarround" given here two weeks ago is also helpful for you.

[jbaltrus]

well, looking for a larger disk space is not really a workaround since I would have done that in a first place, if I had more space. thanks for suggestion, though
I am curious why isn't there a possibility to set that in control file

[christof.haettig]

The reason, why there isn't such a keyword is that a) there is a lot of stuff that must be written to disk. If this would not be possible,  ricc2 could only stop, and b) with all the functionalities implemented in ricc2 it is for this method rather complicated to keep track of the disk space that has been used.

So there are only these 3 work arounds:
   a) use a machine with larger disc space
   b) run the calculation MPI parallel so that the files will be distributed over the discs of more than 1 machine
   c) use the LT-SOS versions, they need less disc space if you just compute excitation energies, but for many states

Christof