The ABINIT Users Mailing List ( CLOSED )

[perand@foi.se]

 Hello

Is there a way to reduce the amount of information
printed in the out-file without rewriting the source? 
prtvol can be used to increase it but I want less.

I am doing MD on a large system (128 atoms) and a 
large number of timesteps (1000). As the default
the position for each atom is written in several
coordinate systems as well as the force for each
timestep. On top of this parts of the same 
information is written again after the last iteration.
It all adds up to a lot of output. I need the
energy after each iteration so that I can test
if the electron-ion coupling is right. Of course
I can grep the information and discard the rest
but as I am doing ~100 different configurations
the accumulated temporary filesize is still
rather big. Any idea?

/Per Andersson