NORMAL TERMINATION
NORMAL TERMINATION
NORMAL TERMINATION
Outer rotational iteration: 0
optimize time: 0.730315s
 Inner rotational iteration: 0
 Inner rotational iteration: 1
 Inner rotational iteration: 2
 Inner rotational iteration: 3
 Inner rotational iteration: 4
 Inner rotational iteration: 5
 Inner rotational iteration: 6
 Inner rotational iteration: 7
 Inner rotational iteration: 8
 Inner rotational iteration: 9
 Inner rotational iteration: 10
 Inner rotational iteration: 11
NORMAL TERMINATION
Outer rotational iteration: 1
optimize time: 1.14859s
 Inner rotational iteration: 0
 Inner rotational iteration: 1
 Inner rotational iteration: 2
 Inner rotational iteration: 3
 Inner rotational iteration: 4
 Inner rotational iteration: 5
 Inner rotational iteration: 6
 Inner rotational iteration: 7
 Inner rotational iteration: 8
 Inner rotational iteration: 9
NORMAL TERMINATION
Outer rotational iteration: 2
optimize time: 2.04625s
 Inner rotational iteration: 0
 Inner rotational iteration: 1
 Inner rotational iteration: 2
 Inner rotational iteration: 3
 Inner rotational iteration: 4
 Inner rotational iteration: 5
 Inner rotational iteration: 6
 Inner rotational iteration: 7
 Inner rotational iteration: 8
 Inner rotational iteration: 9
 Inner rotational iteration: 10
 Inner rotational iteration: 11
 Inner rotational iteration: 12
 Inner rotational iteration: 13
 Inner rotational iteration: 14
 Inner rotational iteration: 15
NORMAL TERMINATION
Outer rotational iteration: 3
optimize time: 3.24707s
 Inner rotational iteration: 0
 Inner rotational iteration: 1
 Inner rotational iteration: 2
 Inner rotational iteration: 3
 Inner rotational iteration: 4
 Inner rotational iteration: 5
 Inner rotational iteration: 6
 Inner rotational iteration: 7
 Inner rotational iteration: 8
 Inner rotational iteration: 9
 Inner rotational iteration: 10
 Inner rotational iteration: 11
 Inner rotational iteration: 12
 Inner rotational iteration: 13
 Inner rotational iteration: 14
 Inner rotational iteration: 15
 Inner rotational iteration: 16
NORMAL TERMINATION
Outer rotational iteration: 4
optimize time: 3.88417s
 Inner rotational iteration: 0
 Inner rotational iteration: 1
 Inner rotational iteration: 2
 Inner rotational iteration: 3
 Inner rotational iteration: 4
 Inner rotational iteration: 5
 Inner rotational iteration: 6
 Inner rotational iteration: 7
 Inner rotational iteration: 8
 Inner rotational iteration: 9
 Inner rotational iteration: 10
 Inner rotational iteration: 11
 Inner rotational iteration: 12
 Inner rotational iteration: 13
 Inner rotational iteration: 14
 Inner rotational iteration: 15
NORMAL TERMINATION
Outer rotational iteration: 5
optimize time: 5.82042s
 Inner rotational iteration: 0
 Inner rotational iteration: 1
 Inner rotational iteration: 2
 Inner rotational iteration: 3
 Inner rotational iteration: 4
 Inner rotational iteration: 5
 Inner rotational iteration: 6
 Inner rotational iteration: 7
 Inner rotational iteration: 8
 Inner rotational iteration: 9
 Inner rotational iteration: 10
 Inner rotational iteration: 11
 Inner rotational iteration: 12
 Inner rotational iteration: 13
 Inner rotational iteration: 14
 Inner rotational iteration: 15
 Inner rotational iteration: 16
 Inner rotational iteration: 17
 Inner rotational iteration: 18
 Inner rotational iteration: 19
 Inner rotational iteration: 20
Rotated the initial dimer in 6 outer iterations (total number of image evaluations: 7.
WARNING: Maximum number of iterations 5 was reached during the initial rotations.
Outer relaxation iteration: 0
optimize time: 5.90344s
Started relaxation phase from the initial location.
 Inner relaxation iteration: 0
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 1
  Inner rotational iteration: 0
  Inner rotational iteration: 1
  Inner rotational iteration: 2
  Inner rotational iteration: 3
  Inner rotational iteration: 4
  Inner rotational iteration: 5
  Inner rotational iteration: 6
  Inner rotational iteration: 7
  Inner rotational iteration: 8
  Inner rotational iteration: 9
 Inner relaxation iteration: 2
  Inner rotational iteration: 0
  Inner rotational iteration: 1
  Inner rotational iteration: 2
  Inner rotational iteration: 3
  Inner rotational iteration: 4
  Inner rotational iteration: 5
  Inner rotational iteration: 6
  Inner rotational iteration: 7
  Inner rotational iteration: 8
  Inner rotational iteration: 9
 Inner relaxation iteration: 3
  Inner rotational iteration: 0
  Inner rotational iteration: 1
  Inner rotational iteration: 2
  Inner rotational iteration: 3
  Inner rotational iteration: 4
  Inner rotational iteration: 5
  Inner rotational iteration: 6
  Inner rotational iteration: 7
  Inner rotational iteration: 8
  Inner rotational iteration: 9
 Inner relaxation iteration: 4
Stopped relaxation phase: converged after 5 inner iterations.
NORMAL TERMINATION
Outer relaxation iteration: 1
optimize time: 2.75762s
Started relaxation phase from the latest converged dimer.
 Inner relaxation iteration: 0
  Inner rotational iteration: 0
  Inner rotational iteration: 1
  Inner rotational iteration: 2
  Inner rotational iteration: 3
  Inner rotational iteration: 4
  Inner rotational iteration: 5
  Inner rotational iteration: 6
  Inner rotational iteration: 7
  Inner rotational iteration: 8
  Inner rotational iteration: 9
 Inner relaxation iteration: 1
  Inner rotational iteration: 0
  Inner rotational iteration: 1
  Inner rotational iteration: 2
  Inner rotational iteration: 3
  Inner rotational iteration: 4
  Inner rotational iteration: 5
  Inner rotational iteration: 6
  Inner rotational iteration: 7
  Inner rotational iteration: 8
  Inner rotational iteration: 9
 Inner relaxation iteration: 2
  Inner rotational iteration: 0
  Inner rotational iteration: 1
  Inner rotational iteration: 2
  Inner rotational iteration: 3
  Inner rotational iteration: 4
  Inner rotational iteration: 5
  Inner rotational iteration: 6
  Inner rotational iteration: 7
  Inner rotational iteration: 8
Terminated due to R_obs is empty
 Inner relaxation iteration: 3
  Inner rotational iteration: 0
  Inner rotational iteration: 1
  Inner rotational iteration: 2
  Inner rotational iteration: 3
  Inner rotational iteration: 4
  Inner rotational iteration: 5
  Inner rotational iteration: 6
  Inner rotational iteration: 7
  Inner rotational iteration: 8
  Inner rotational iteration: 9
Terminated due to R_obs is empty
 Inner relaxation iteration: 4
  Inner rotational iteration: 0
  Inner rotational iteration: 1
  Inner rotational iteration: 2
  Inner rotational iteration: 3
  Inner rotational iteration: 4
  Inner rotational iteration: 5
  Inner rotational iteration: 6
  Inner rotational iteration: 7
  Inner rotational iteration: 8
  Inner rotational iteration: 9
 Inner relaxation iteration: 5
  Inner rotational iteration: 0
  Inner rotational iteration: 1
  Inner rotational iteration: 2
  Inner rotational iteration: 3
  Inner rotational iteration: 4
  Inner rotational iteration: 5
  Inner rotational iteration: 6
  Inner rotational iteration: 7
  Inner rotational iteration: 8
  Inner rotational iteration: 9
 Inner relaxation iteration: 6
Stopped relaxation phase: converged after 7 inner iterations.
NORMAL TERMINATION
Outer relaxation iteration: 2
optimize time: 2.57076s
Started relaxation phase from the latest converged dimer.
 Inner relaxation iteration: 0
  Inner rotational iteration: 0
  Inner rotational iteration: 1
  Inner rotational iteration: 2
  Inner rotational iteration: 3
  Inner rotational iteration: 4
  Inner rotational iteration: 5
  Inner rotational iteration: 6
  Inner rotational iteration: 7
  Inner rotational iteration: 8
  Inner rotational iteration: 9
 Inner relaxation iteration: 1
  Inner rotational iteration: 0
  Inner rotational iteration: 1
  Inner rotational iteration: 2
  Inner rotational iteration: 3
  Inner rotational iteration: 4
  Inner rotational iteration: 5
  Inner rotational iteration: 6
  Inner rotational iteration: 7
  Inner rotational iteration: 8
  Inner rotational iteration: 9
 Inner relaxation iteration: 2
  Inner rotational iteration: 0
  Inner rotational iteration: 1
  Inner rotational iteration: 2
  Inner rotational iteration: 3
  Inner rotational iteration: 4
  Inner rotational iteration: 5
Terminated due to R_obs is empty
 Inner relaxation iteration: 3
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 4
Stopped relaxation phase: converged after 5 inner iterations.
NORMAL TERMINATION
Outer relaxation iteration: 3
optimize time: 2.02684s
Started relaxation phase from the latest converged dimer.
 Inner relaxation iteration: 0
  Inner rotational iteration: 0
  Inner rotational iteration: 1
  Inner rotational iteration: 2
  Inner rotational iteration: 3
  Inner rotational iteration: 4
  Inner rotational iteration: 5
  Inner rotational iteration: 6
  Inner rotational iteration: 7
  Inner rotational iteration: 8
Terminated due to R_obs is empty
 Inner relaxation iteration: 1
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 2
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 3
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 4
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 5
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 6
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 7
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 8
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 9
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 10
  Inner rotational iteration: 0
  Inner rotational iteration: 1
  Inner rotational iteration: 2
  Inner rotational iteration: 3
  Inner rotational iteration: 4
  Inner rotational iteration: 5
Terminated due to R_obs is empty
 Inner relaxation iteration: 11
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 12
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 13
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 14
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 15
Stopped relaxation phase: converged after 16 inner iterations.
NORMAL TERMINATION
Outer relaxation iteration: 4
optimize time: 2.13722s
Started relaxation phase from the latest converged dimer.
 Inner relaxation iteration: 0
  Inner rotational iteration: 0
  Inner rotational iteration: 1
  Inner rotational iteration: 2
  Inner rotational iteration: 3
  Inner rotational iteration: 4
  Inner rotational iteration: 5
  Inner rotational iteration: 6
  Inner rotational iteration: 7
  Inner rotational iteration: 8
  Inner rotational iteration: 9
 Inner relaxation iteration: 1
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 2
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 3
  Inner rotational iteration: 0
  Inner rotational iteration: 1
  Inner rotational iteration: 2
  Inner rotational iteration: 3
  Inner rotational iteration: 4
  Inner rotational iteration: 5
  Inner rotational iteration: 6
  Inner rotational iteration: 7
  Inner rotational iteration: 8
  Inner rotational iteration: 9
 Inner relaxation iteration: 4
  Inner rotational iteration: 0
  Inner rotational iteration: 1
  Inner rotational iteration: 2
  Inner rotational iteration: 3
  Inner rotational iteration: 4
  Inner rotational iteration: 5
  Inner rotational iteration: 6
  Inner rotational iteration: 7
Terminated due to R_obs is empty
 Inner relaxation iteration: 5
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 6
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 7
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 8
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 9
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 10
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 11
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 12
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 13
  Inner rotational iteration: 0
  Inner rotational iteration: 1
  Inner rotational iteration: 2
  Inner rotational iteration: 3
  Inner rotational iteration: 4
Terminated due to R_obs is empty
 Inner relaxation iteration: 14
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 15
Stopped relaxation phase: converged after 16 inner iterations.
NORMAL TERMINATION
Outer relaxation iteration: 5
optimize time: 2.73407s
Started relaxation phase from the latest converged dimer.
 Inner relaxation iteration: 0
  Inner rotational iteration: 0
  Inner rotational iteration: 1
  Inner rotational iteration: 2
  Inner rotational iteration: 3
  Inner rotational iteration: 4
  Inner rotational iteration: 5
  Inner rotational iteration: 6
  Inner rotational iteration: 7
Terminated due to R_obs is empty
 Inner relaxation iteration: 1
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 2
  Inner rotational iteration: 0
  Inner rotational iteration: 1
  Inner rotational iteration: 2
Terminated due to R_obs is empty
 Inner relaxation iteration: 3
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 4
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 5
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 6
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 7
Stopped relaxation phase: converged after 8 inner iterations.
NORMAL TERMINATION
Outer relaxation iteration: 6
optimize time: 2.55841s
Started relaxation phase from the latest converged dimer.
 Inner relaxation iteration: 0
  Inner rotational iteration: 0
  Inner rotational iteration: 1
  Inner rotational iteration: 2
  Inner rotational iteration: 3
  Inner rotational iteration: 4
  Inner rotational iteration: 5
Terminated due to R_obs is empty
 Inner relaxation iteration: 1
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 2
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 3
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 4
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 5
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 6
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 7
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 8
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 9
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 10
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 11
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 12
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 13
Stopped relaxation phase: converged after 14 inner iterations.
NORMAL TERMINATION
Outer relaxation iteration: 7
optimize time: 3.14647s
Started relaxation phase from the latest converged dimer.
 Inner relaxation iteration: 0
  Inner rotational iteration: 0
  Inner rotational iteration: 1
  Inner rotational iteration: 2
  Inner rotational iteration: 3
  Inner rotational iteration: 4
  Inner rotational iteration: 5
Terminated due to R_obs is empty
 Inner relaxation iteration: 1
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 2
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 3
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 4
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 5
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 6
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 7
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 8
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 9
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 10
Stopped relaxation phase: converged after 11 inner iterations.
NORMAL TERMINATION
Outer relaxation iteration: 8
optimize time: 2.13654s
Started relaxation phase from the latest converged dimer.
 Inner relaxation iteration: 0
  Inner rotational iteration: 0
  Inner rotational iteration: 1
  Inner rotational iteration: 2
  Inner rotational iteration: 3
Terminated due to R_obs is empty
 Inner relaxation iteration: 1
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 2
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 3
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 4
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 5
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 6
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 7
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 8
Stopped relaxation phase: converged after 9 inner iterations.
NORMAL TERMINATION
Outer relaxation iteration: 9
optimize time: 2.02659s
Started relaxation phase from the latest converged dimer.
 Inner relaxation iteration: 0
  Inner rotational iteration: 0
  Inner rotational iteration: 1
  Inner rotational iteration: 2
  Inner rotational iteration: 3
  Inner rotational iteration: 4
Terminated due to R_obs is empty
 Inner relaxation iteration: 1
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 2
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 3
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 4
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 5
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 6
Stopped relaxation phase: converged after 7 inner iterations.
NORMAL TERMINATION
Final convergence obtained after 10 relaxation phases (total number of image evaluations: 9).
Elapsed time: 945.767s

12.6486 13.0082 10.8846 11.512 13.3368 10.9453 13.2891 11.8673 10.8119 10.5224 11.4303 10.8976 11.5794 10.5303 10.8332 10.0272 11.6219 11.8454 9.97289 11.691 9.99728 11.9558 10.0519 11.732 11.897 10.1135 9.88275


-5.34354


-0.00128083 0.00152013 0.000539011 -0.00186364 0.000502008 0.0013254 0.000947539 0.00292162 -2.63178e-05 0.00189196 -0.00338639 0.000842422 -0.000181355 -0.000250359 -0.00264802 -0.00250977 -0.00290988 -0.000284369 -0.000335087 -0.000981514 -0.00190098 0.00131127 0.000901151 0.00160788 0.00201991 0.00168325 0.000544971

NORMAL TERMINATION
eOn Client
VERSION: rUnversioned directory
BUILD DATE: Sun Feb 28 00:04:12 CET 2021

Hostname: int1.bullx
OS: Linux
Arch: x86_64
PID: 25291
DIR: /scratch/nodespecific/int1/rgoswami/myRuns/op1_b3lypdz/withPrune

Loading parameter file config.ini
* [Main] job: saddle_search
* [Main] temperature: 300
* [Main] random_seed: 706253457
* [Potential] potential: ams
* [AMS] engine: ADF
* [AMS] xc: B3LYP
* [Optimizer] converged_force: 0.01
* [Optimizer] max_iterations: 1000
* [GPR Dimer] finite_angle: 0.05
* [GPR Dimer] converged_angle: 0.0873
* [GPR Dimer] relaxation_converged_angle: 0.01
* [GPR Dimer] max_initial_rotation_iterations: 6
* [GPR Dimer] max_relaxation_rotation_iterations: 10
* [GPR Dimer] divisor_t_dimer: 10
* [GPR Dimer] max_outer_iterations: 300
* [GPR Dimer] max_inner_iterations: 1000
* [GPR Dimer] max_midpoint_displacement: 0.5
* [GPR Dimer] rotation_opt_method: "lbfgs"
* [GPR Dimer] translation_opt_method: "lbfgs"
* [GPR Dimer] active_radius: 20.0
* [GPR Dimer] dimer_separation: 0.01
* [GPR Dimer] convex_region_step_size: 0.1
* [GPR Dimer] max_step_size: 0.1
* [GPR Dimer] force_threshold: 0.01
* [GPR Dimer] ratio_at_limit: 0.666666666667
* [GPR Dimer] nogp_initial_rotations: true
* [GPR Dimer] has_many_iterations: true
* [GPR Dimer] hyperparameter_opt_method: "scg"
* [GPR Dimer] gpr_variance: 1e-7
* [GPR Dimer] gpr_jitter_variance: 0
* [GPR Dimer] gpr_noise_variance: 1e-5
* [GPR Dimer] prior_mean: 0.0
* [GPR Dimer] prior_variance: 1.0
* [GPR Dimer] prior_degrees_of_freedom: 66
* [GPR Dimer] opt_max_iterations: 400
* [GPR Dimer] opt_tol_sol: 0.01
* [GPR Dimer] opt_lambda_limit: 1e17
* [GPR Dimer] opt_lambda_init: 100
* [GPR Dimer] report_level: 0
* [GPR Dimer] debug_level: 0
* [GPR Dimer] debug_output_directory: output
* [GPR Dimer] debug_position_basename: position
* [GPR Dimer] debug_energy_basename: energy
* [GPR Dimer] debug_gradient_basename: gradient
* [GPR Dimer] debug_midpoint_offset: 3.
* [GPR Dimer] debug_y_step: 0.1
* [GPR Dimer] debug_z_step: 0.1
* [GPR Dimer] use_dropout: true
* [GPR Dimer] start_dropout_at: 10
* [GPR Dimer] ndropout_vals: 4
* [GPR Dimer] dropout_threshold: 0.5
* [Saddle Search] min_mode_method: gprdimer
* [Saddle Search] displace_magnitude: 0.01 # Actually from the displacement.con DO NOT CHANGE
* [Saddle Search] displace_radius: 3.3
* [Saddle Search] max_energy: 10.0
Saddle point search started from reactant with energy -56.981591 eV.
================= Using the GP Dimer Library =================
Current Max is 20.8438
Current Max is 4.61965
Current Max is 4.95356
Current Max is 0.771255
Current Max is 0.536816
Dropping values (max 4)
Size is 11
21.3301 at 1 is bad; dropping
Size is 10
20.8611 at 3 is bad; dropping
Size is 9
20.8438 at 0 is bad; dropping
Size is 8
20.836 at 1 is bad; dropping
Current Max is 0.588663
Current Max is 0.105862
Current Max is 0.0809842
Current Max is 0.0260911
Dropping values (max 4)
Size is 11
20.8195 at 0 is bad; dropping
Size is 10
20.7888 at 1 is bad; dropping
Size is 9
20.7831 at 0 is bad; dropping
Size is 8
4.95356 at 1 is bad; dropping
Current Max is 0.0262937
[Saddle Search] Final status: Success
timing information:
real   1065.221 seconds
user     52.233 seconds
sys       0.905 seconds
