problem in FIST calculations of calcite (NaNs after 1st step)

[Wojtek]

Hi,
I'm trying to run calcite force field calculations. I've started from the 
simplest configuration with just one CaCO3 unit. The first energy 
evaluation looks OK, but in the next step I'm getting NaN. Also coordinates 
are NaNs.
Interestingly when I exclude angles and dihedrals, the simulation runs 
without problems. 
What I'm doing wrong? 
I'm attaching the input and output files for both cases. 

Thanks 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20141119/9b2f9144/attachment.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: caco3.in
Type: application/octet-stream
Size: 2447 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20141119/9b2f9144/attachment.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: caco3.out
Type: application/octet-stream
Size: 2158330 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20141119/9b2f9144/attachment-0001.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: caco3.psf
Type: application/octet-stream
Size: 711 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20141119/9b2f9144/attachment-0002.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: caco3-noAng.in
Type: application/octet-stream
Size: 2241 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20141119/9b2f9144/attachment-0003.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: caco3-noAng.out
Type: application/octet-stream
Size: 2158095 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20141119/9b2f9144/attachment-0004.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: caco3-noAng.psf
Type: application/octet-stream
Size: 567 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20141119/9b2f9144/attachment-0005.obj>