WARNING printed by performing metadyn test from regtest-15

Ider ider.ron... at googlemail.com
Tue May 7 10:24:32 UTC 2013


Dear cp2k developers and users,

I observed a WARNING printed out if I run the metadyn test files located in 
regtest-15 folder. I wanted to test metadynamics on model systems using 
forcefields. I am not sure how serious this warning is, since the code does 
not stop. 

In the output file (CP2K version 2.4):
...

 ENERGY| Total FORCE_EVAL ( FIST ) energy (a.u.):             
-0.004022463382192



 *** 12:01:24 WARNING in force_env_types:force_env_get condition FAILED at 
***
 *** line 403 


In the Log file of the the cpu:  

 ===== Routine Calling Stack =====

            3 metadyn_forces
            2 qs_mol_dyn_low
            1 CP2K

 *** 12:01:24 WARNING in force_env_types:force_env_get condition FAILED at 
***
 *** line 403 



It seems to call somehow the quick step environment although it should be 
only the Fist environment.  
I would be very glad for any suggestions to get rid off it. 

Thanks,

Ider
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