1497: Getting lots of ERROR / WARNING

Started by bertro

bertro Lv 1

in log.txt, like these:

core.kinematics.AtomTree: [ ERROR ] No proper DoF can be found for these four atoms: 146-1, 146-2, 146-3, 147-1!
core.kinematics.AtomTree: [ WARNING ] DOF for this torsion angle could not be found in AtomTree.
core.conformation.Conformation: [ WARNING ] Unable to set torsion angle in atom_tree: TorsionID 146 BB 2
core.kinematics.AtomTree: [ ERROR ] No proper DoF can be found for these four atoms: 146-2, 146-3, 147-1, 147-2!
core.kinematics.AtomTree: [ WARNING ] DOF for this torsion angle could not be found in AtomTree.
core.conformation.Conformation: [ WARNING ] Unable to set torsion angle in atom_tree: TorsionID 146 BB 3

and these:

core.optimization.LineMinimizer: [ ERROR ] Inaccurate G! step= 7.45058e-09 Deriv= -926 Finite Diff= 205.238
core.optimization.LineMinimizer: [ ERROR ] Inaccurate G! step= 1.86265e-09 Deriv= -926 Finite Diff= 205.164
core.optimization.LineMinimizer: [ ERROR ] Inaccurate G! step= 4.65661e-10 Deriv= -926 Finite Diff= 204.781
core.optimization.LineMinimizer: [ ERROR ] Inaccurate G! step= 1.16415e-10 Deriv= -926 Finite Diff= 205.25
core.optimization.LineMinimizer: [ ERROR ] Inaccurate G! step= 2.91038e-11 Deriv= -926 Finite Diff= 206.5
core.optimization.LineMinimizer: [ ERROR ] Inaccurate G! step= 7.27596e-12 Deriv= -926 Finite Diff= 204
core.optimization.LineMinimizer: [ ERROR ] Inaccurate G! step= 1.81899e-12 Deriv= -926 Finite Diff= 200
core.optimization.LineMinimizer: [ ERROR ] Inaccurate G! step= 4.54747e-13 Deriv= -926 Finite Diff= -32

Susume Lv 1

Just as a point of comparison, I looked through some log.txt files I had lying around from previous aflatoxin puzzles (1455, in December, and 1440, the first one), and found lots of these lines:

***** STARTING THREAD ActionGlobalMinimizeBackbone
core.optimization.LineMinimizer: Inaccurate G! step= 3.8147e-08 Deriv= -281.709 Finite Diff= 4.76081e+06
core.optimization.LineMinimizer: Inaccurate G! step= 9.53674e-09 Deriv= -281.709 Finite Diff= 1.9044e+07
core.optimization.LineMinimizer: Inaccurate G! step= 2.38419e-09 Deriv= -281.709 Finite Diff= 7.6177e+07
core.optimization.LineMinimizer: Inaccurate G! step= 5.96046e-10 Deriv= -281.709 Finite Diff= 3.04709e+08

They all follow a thread start for either ActionGlobalMinimizeBackbone or ActionGlobalMinimize.

My sense is that these have always been common errors - but I don't have log.txt files from any non-aflatoxin design puzzles at the moment (except one devprev symmetry puzzle from June, which does have a few of the same lines).
One hypothesis is that the Rosetta error reporting used to not put the word "ERROR" in these reports, and now it does, even though it is the same kind of event.

jflat06 Staff Lv 1

Yeah, the inaccurate G output has been there for a long time, and isn't a problem. The other parts are new, as far as I can tell.