Geometry Optimization fails without proper messages

[Rad]

Hi,

I am trying to optimize the geometry of a crystal with about 900 atoms
in the unit cell. I tried to run the calculation on an SGI ALTRIX m/c
with CP2K compiled for serial execution. The calculation crashed with
a core dump.

How do I get any diagnostic message in a CP2K run? I did add PRINT
command in all the sections of the input (Global, DFT, Motion etc) and
here is the output  (I added few additional write statements to the
code and compiled):
====================================================================
 DISTRIBUTION OF THE PARTICLES (ROWS)

  Process row   Number of particles      Number of matrix rows

            0                   870                         -1

          Sum                   870                         -1


 DISTRIBUTION OF THE PARTICLES (COLUMNS)

  Process col   Number of particles   Number of matrix columns

            0                   870                         -1

          Sum                   870                         -1

 
*******************************************************************************
 ***                       STARTING GEOMETRY
OPTIMIZATION                    ***
 ***                           CONJUGATE
GRADIENTS                           ***
 
*******************************************************************************
 ***                           STARTING CG Geo
Main                          ***
 ***                           STRATING
cp_eval_at                           ***
 ***                           STARTING
subsys_get                           ***
 ***                           STARTING Force/Energy
Calc                    ***
 ***                       ^AöAbout to calc
energy                          ***
 ***                         about to actually  calc
force                   ***
================================================
The execution fails when qs_forces subroutine is called from
force_env_calc_energy_force.

Is there a way I can use the linear scaling algorithm implemented in
CP2K for this optimization? If so can I have a sample input to set up
such a run?

Thanks

Radhakrishnan Balu, PhD

US Army Research Lab

Aberdeen , MD, USA