Ider
unread,May 7, 2013, 6:24:32 AM5/7/13Sign in to reply to author
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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