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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