Nickel cell optimization

[Alex]

Our sysadmin installed v. 2.5.1, after about 20 steps of seemingly normal 
simulation (NPT_I MD, AD_LANGEVIN thermostat, force calculations as 
suggested by Matt above) the job crashes and I get:

 ****************************************************************************
 *** 22:05:49 ERRORL2 in input_enumeration_types:enum_i2c processor 0  :: 
***
 *** err=-300 invalid value for enumeration:   104                       
 ***
 ****************************************************************************

Any thoughts? Thanks.

Alex

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20141023/c1c40327/attachment.htm>