From: Miss. State (swe31_at_msstate.edu)
Date: Mon Feb 17 2014 - 17:05:09 CST
Hello All,
I'm a new user to NAMD and to programming in general. I tried to execute a simulation and the same errors are prompted to my 'output' file. The same error appears whether I'm starting a run for the first time or attempting a restart. The error is as follows:
"ERROR: CALCULATED VDWA FORCE MAY NOT MATCH ENERGY! POSSIBLE BUG!"
"ERROR: CALCULATED VDWB FORCE MAY NOT MATCH ENERGY! POSSIBLE BUG!"
I can find nothing on this matter. These errors along with the additional inconsistencies and imprecisions(as shown below) arise a concern. Is this something I should be worried about? Any help would be appreciated.
Thank You,
Shalton Evans
Info: INCONSISTENCY IN FAST TABLE ENERGY VS FORCE: 0.000290495 AT 0.251946
Info: INCONSISTENCY IN SCOR TABLE ENERGY VS FORCE: 0.00028301 AT 6.05702
Info: ABSOLUTE IMPRECISION IN VDWA TABLE ENERGY: 1.29247e-26 AT 6.07762
Info: RELATIVE IMPRECISION IN VDWA TABLE ENERGY: 2.98169e-16 AT 6.07762
Info: ABSOLUTE IMPRECISION IN VDWA TABLE FORCE: 1.03398e-25 AT 6.07762
Info: RELATIVE IMPRECISION IN VDWA TABLE FORCE: 2.61536e-16 AT 6.07762
Info: INCONSISTENCY IN VDWA TABLE ENERGY VS FORCE: 0.181616 AT 6.05702
ERROR:
ERROR: CALCULATED VDWA FORCE MAY NOT MATCH ENERGY! POSSIBLE BUG!
ERROR:
Info: ABSOLUTE IMPRECISION IN VDWB TABLE ENERGY: 4.23516e-22 AT 6.07762
Info: RELATIVE IMPRECISION IN VDWB TABLE ENERGY: 1.86205e-16 AT 6.07762
Info: ABSOLUTE IMPRECISION IN VDWB TABLE FORCE: 6.77626e-21 AT 6.07762
Info: RELATIVE IMPRECISION IN VDWB TABLE FORCE: 3.23812e-16 AT 6.07762
Info: INCONSISTENCY IN VDWB TABLE ENERGY VS FORCE: 0.431298 AT 6.05702
TCL: This Program will record the time of first 'intercalation'
Info: useSync: 1 useProxySync: 0
ERROR:
ERROR: CALCULATED VDWB FORCE MAY NOT MATCH ENERGY! POSSIBLE BUG!
ERROR:
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