NORMAL TERMINATION
NORMAL TERMINATION
NORMAL TERMINATION
Outer rotational iteration: 0
optimize time: 1.73285s
 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
NORMAL TERMINATION
Outer rotational iteration: 1
Warning! Matrix L is not positive definite
EON Client
VERSION: rUnversioned directory
BUILD DATE: Sat Feb 27 03:50:43 AM GMT 2021

Hostname: hzx380arch
OS: Linux
Arch: x86_64
PID: 344881
DIR: /home/haozeke/Git/Github/EONgit/client/gtests/data/ams_dimer/ally_vinyl_ether_re/PM3/GPR_Dimer

Loading parameter file config.ini
* [Main] job: saddle_search
* [Main] temperature: 300
* [Main] random_seed: 706253457
* [Potential] potential: ams
* [AMS] engine: MOPAC
* [AMS] model: PM3
* [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: false
* [GPR Dimer] start_dropout_at: 3
* [GPR Dimer] ndropout_vals: 2
* [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 3.130732 eV.
================= Using the GP Dimer Library =================
Current Max is 17.9106
Energy field is empty!
optimize time: 0.650993s
 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
NORMAL TERMINATION
Outer rotational iteration: 2
optimize time: 5.19774s
 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
NORMAL TERMINATION
Outer rotational iteration: 3
optimize time: 7.58137s
 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
NORMAL TERMINATION
Outer rotational iteration: 4
optimize time: 16.0835s
 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
NORMAL TERMINATION
Outer rotational iteration: 5
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: 17.6041s
Started relaxation phase from the initial location.
 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
  Inner rotational iteration: 1
  Inner rotational iteration: 2
  Inner rotational iteration: 3
  Inner rotational iteration: 4
  Inner rotational iteration: 5
  Inner rotational iteration: 6
Terminated due to R_obs is empty
 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
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
  Inner rotational iteration: 8
  Inner rotational iteration: 9
 Inner relaxation iteration: 5
Stopped relaxation phase: converged after 6 inner iterations.
NORMAL TERMINATION
Outer relaxation iteration: 1
optimize time: 11.8345s
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
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
  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: 6
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 7
  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: 8
  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: 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
  Inner rotational iteration: 6
  Inner rotational iteration: 7
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
  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: 13
  Inner rotational iteration: 0
  Inner rotational iteration: 1
Terminated due to R_obs is empty
 Inner relaxation iteration: 14
  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: 15
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 16
  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: 17
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 18
  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: 19
  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: 20
  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: 21
  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: 22
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 23
  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: 24
  Inner rotational iteration: 0
  Inner rotational iteration: 1
  Inner rotational iteration: 2
Terminated due to R_obs is empty
 Inner relaxation iteration: 25
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 26
Stopped relaxation phase: converged after 27 inner iterations.
NORMAL TERMINATION
Outer relaxation iteration: 2
optimize time: 6.79751s
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
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
Terminated due to R_obs is empty
 Inner relaxation iteration: 4
  Inner rotational iteration: 0
  Inner rotational iteration: 1
Terminated due to R_obs is empty
 Inner relaxation iteration: 5
  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: 6
  Inner rotational iteration: 0
  Inner rotational iteration: 1
Terminated due to R_obs is empty
 Inner relaxation iteration: 7
  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: 8
  Inner rotational iteration: 0
  Inner rotational iteration: 1
Terminated due to R_obs is empty
 Inner relaxation iteration: 9
  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: 10
  Inner rotational iteration: 0
  Inner rotational iteration: 1
  Inner rotational iteration: 2
Terminated due to R_obs is empty
 Inner relaxation iteration: 11
Stopped relaxation phase: converged after 12 inner iterations.
NORMAL TERMINATION
Outer relaxation iteration: 3
optimize time: 18.4729s
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
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
Terminated due to R_obs is empty
 Inner relaxation iteration: 2
  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: 3
  Inner rotational iteration: 0
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
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
  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: 7
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 8
  Inner rotational iteration: 0
  Inner rotational iteration: 1
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
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
  Inner rotational iteration: 1
  Inner rotational iteration: 2
  Inner rotational iteration: 3
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
  Inner rotational iteration: 1
  Inner rotational iteration: 2
  Inner rotational iteration: 3
Terminated due to R_obs is empty
 Inner relaxation iteration: 15
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 16
  Inner rotational iteration: 0
  Inner rotational iteration: 1
  Inner rotational iteration: 2
Terminated due to R_obs is empty
 Inner relaxation iteration: 17
Stopped relaxation phase: converged after 18 inner iterations.
NORMAL TERMINATION
Outer relaxation iteration: 4
optimize time: 11.6589s
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
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
Terminated due to R_obs is empty
 Inner relaxation iteration: 2
  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: 3
  Inner rotational iteration: 0
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
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
  Inner rotational iteration: 1
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
  Inner rotational iteration: 1
Terminated due to R_obs is empty
 Inner relaxation iteration: 13
Stopped relaxation phase: converged after 14 inner iterations.
NORMAL TERMINATION
Outer relaxation iteration: 5
optimize time: 14.7862s
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
Terminated due to R_obs is empty
 Inner relaxation iteration: 1
  Inner rotational iteration: 0
  Inner rotational iteration: 1
  Inner rotational iteration: 2
Terminated due to R_obs is empty
 Inner relaxation iteration: 2
  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: 3
  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: 4
  Inner rotational iteration: 0
  Inner rotational iteration: 1
  Inner rotational iteration: 2
Terminated due to R_obs is empty
 Inner relaxation iteration: 5
Stopped relaxation phase: converged after 6 inner iterations.
NORMAL TERMINATION
Outer relaxation iteration: 6
optimize time: 15.907s
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
  Inner rotational iteration: 1
Terminated due to R_obs is empty
 Inner relaxation iteration: 2
  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: 3
  Inner rotational iteration: 0
  Inner rotational iteration: 1
  Inner rotational iteration: 2
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
  Inner rotational iteration: 1
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
  Inner rotational iteration: 1
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
Terminated due to R_obs is empty
 Inner relaxation iteration: 14
Stopped relaxation phase: converged after 15 inner iterations.
NORMAL TERMINATION
Outer relaxation iteration: 7
optimize time: 14.0346s
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
  Inner rotational iteration: 1
Terminated due to R_obs is empty
 Inner relaxation iteration: 4
  Inner rotational iteration: 0
  Inner rotational iteration: 1
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
Terminated due to R_obs is empty
 Inner relaxation iteration: 14
  Inner rotational iteration: 0
  Inner rotational iteration: 1
Terminated due to R_obs is empty
 Inner relaxation iteration: 15
  Inner rotational iteration: 0
  Inner rotational iteration: 1
  Inner rotational iteration: 2
Terminated due to R_obs is empty
 Inner relaxation iteration: 16
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 17
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 18
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 19
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 20
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 21
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 22
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 23
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 24
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 25
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 26
  Inner rotational iteration: 0
  Inner rotational iteration: 1
  Inner rotational iteration: 2
Terminated due to R_obs is empty
 Inner relaxation iteration: 27
Stopped relaxation phase: converged after 28 inner iterations.
NORMAL TERMINATION
Outer relaxation iteration: 8
optimize time: 4.62352s
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
  Inner rotational iteration: 1
Terminated due to R_obs is empty
 Inner relaxation iteration: 3
  Inner rotational iteration: 0
  Inner rotational iteration: 1
  Inner rotational iteration: 2
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
  Inner rotational iteration: 1
Terminated due to R_obs is empty
 Inner relaxation iteration: 8
  Inner rotational iteration: 0
  Inner rotational iteration: 1
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: 9
optimize time: 23.0023s
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
  Inner rotational iteration: 1
Terminated due to R_obs is empty
 Inner relaxation iteration: 3
  Inner rotational iteration: 0
  Inner rotational iteration: 1
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
  Inner rotational iteration: 1
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
Terminated due to R_obs is empty
 Inner relaxation iteration: 14
Stopped relaxation phase: converged after 15 inner iterations.
NORMAL TERMINATION
Outer relaxation iteration: 10
optimize time: 13.2893s
Started relaxation phase from the latest converged dimer.
 Inner relaxation iteration: 0
  Inner rotational iteration: 0
  Inner rotational iteration: 1
  Inner rotational iteration: 2
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
  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
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 16
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 17
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 18
Stopped relaxation phase: converged after 19 inner iterations.
NORMAL TERMINATION
Outer relaxation iteration: 11
optimize time: 6.08267s
Started relaxation phase from the latest converged dimer.
 Inner relaxation iteration: 0
  Inner rotational iteration: 0
  Inner rotational iteration: 1
  Inner rotational iteration: 2
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
  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: 12
optimize time: 6.89595s
Started relaxation phase from the latest converged dimer.
 Inner relaxation iteration: 0
  Inner rotational iteration: 0
  Inner rotational iteration: 1
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
  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
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 16
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 17
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 18
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 19
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 20
Stopped relaxation phase: converged after 21 inner iterations.
NORMAL TERMINATION
Outer relaxation iteration: 13
optimize time: 7.93405s
Started relaxation phase from the latest converged dimer.
 Inner relaxation iteration: 0
  Inner rotational iteration: 0
  Inner rotational iteration: 1
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
  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
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 16
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 17
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 18
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 19
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 20
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 21
Stopped relaxation phase: converged after 22 inner iterations.
NORMAL TERMINATION
Outer relaxation iteration: 14
optimize time: 20.1971s
Started relaxation phase from the latest converged dimer.
 Inner relaxation iteration: 0
  Inner rotational iteration: 0
  Inner rotational iteration: 1
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
  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
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 16
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 17
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 18
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 19
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 20
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 21
  Inner rotational iteration: 0
Terminated due to R_obs is empty
 Inner relaxation iteration: 22
Stopped relaxation phase: converged after 23 inner iterations.
NORMAL TERMINATION
Final convergence obtained after 15 relaxation phases (total number of image evaluations: 22).
Elapsed time: 301.852s

14.7145 10.5592 10.8836 12.011 11.2156 10.8199 15.1419 11.7397 10.8831 10.9624 11.9583 11.1717 13.0348 10.7807 11.7633 14.2647 12.6463 11.5142 10.1933 12.2545 10.4651 10.8011 12.3158 12.185 13.0174 11.1774 12.7849 14.1693 12.6417 12.5998 13.2272 9.69893 11.772 14.0813 13.6267 11.0874 12.1425 10.8806 9.78309 16.0885 11.9674 10.3833 


-7.03673 


-0.000122904 -7.11527e-05 0.000627869 -0.000553291 -0.000304372 7.77348e-05 0.000610709 0.00167951 -0.00128494 0.000860451 -0.000761314 -3.49464e-05 0.0021064 0.00253979 -0.00108081 0.00361985 0.00236073 0.000546992 -0.00043173 -0.00021658 -0.00276856 0.000364104 0.00236634 -0.00108885 -0.00122188 -0.00102712 -0.000416807 -0.000526912 -0.000594511 0.000393646 -0.00252741 -0.00498991 0.00198017 0.0010826 0.000868956 0.00234738 -0.00165616 -0.00324992 0.000757087 -0.00160383 0.00139957 -5.59678e-05 

NORMAL TERMINATION
Current Max is 4.83281
Current Max is 5.79015
Current Max is 5.23202
Current Max is 1.61494
Current Max is 2.43523
Current Max is 0.760746
Current Max is 0.555728
Current Max is 0.727372
Current Max is 0.282757
Current Max is 0.0924542
Current Max is 0.0411673
Current Max is 0.0211393
Current Max is 0.0174974
Current Max is 0.010504
[Saddle Search] Final status: Success
timing information:
real    302.298 seconds
user    293.705 seconds
sys       2.289 seconds
