-----------------------------------------------------------------------
          Psi4: An Open-Source Ab Initio Electronic Structure Package
                               Psi4 1.7 release

                         Git: Rev {HEAD} 6ce35a5 


    D. G. A. Smith, L. A. Burns, A. C. Simmonett, R. M. Parrish,
    M. C. Schieber, R. Galvelis, P. Kraus, H. Kruse, R. Di Remigio,
    A. Alenaizan, A. M. James, S. Lehtola, J. P. Misiewicz, M. Scheurer,
    R. A. Shaw, J. B. Schriber, Y. Xie, Z. L. Glick, D. A. Sirianni,
    J. S. O'Brien, J. M. Waldrop, A. Kumar, E. G. Hohenstein,
    B. P. Pritchard, B. R. Brooks, H. F. Schaefer III, A. Yu. Sokolov,
    K. Patkowski, A. E. DePrince III, U. Bozkaya, R. A. King,
    F. A. Evangelista, J. M. Turney, T. D. Crawford, C. D. Sherrill,
    J. Chem. Phys. 152(18) 184108 (2020). https://doi.org/10.1063/5.0006002

                            Additional Code Authors
    E. T. Seidl, C. L. Janssen, E. F. Valeev, M. L. Leininger,
    J. F. Gonthier, R. M. Richard, H. R. McAlexander, M. Saitow, X. Wang,
    P. Verma, M. H. Lechner, A. Jiang, S. Behnle, A. G. Heide,
    M. F. Herbst, and D. L. Poole

             Previous Authors, Complete List of Code Contributors,
                       and Citations for Specific Modules
    https://github.com/psi4/psi4/blob/master/codemeta.json
    https://github.com/psi4/psi4/graphs/contributors
    http://psicode.org/psi4manual/master/introduction.html#citing-psifour

    -----------------------------------------------------------------------


    Psi4 started on: Monday, 04 September 2023 05:29PM

    Process ID: 2452257
    Host:       cn77.barbora.it4i.cz
    PSIDATADIR: /home/mmithun/miniconda3/share/psi4
    Memory:     500.0 MiB
    Threads:    12
    
  ==> Input File <==

--------------------------------------------------------------------------
memory 8GB
molecule {
0 1 
C 2.81659140 4.07106017 0.00169116
N 3.28738938 5.28582510 0.00295723
C 1.32406621 4.04052425 0.00188718
C 2.13348946 6.18502579 0.00410675
H -0.13483008 5.65751235 0.00485604
O 2.20433473 7.39303013 0.00452261
H 3.51352867 3.22508753 0.00135084
C 0.89353785 5.31168166 0.00400857
H 0.72158016 3.13726570 0.00076427
--
0 1
C 6.05784731 1.27250692 0.00091122
O 5.47520679 0.20156235 -0.00190551
C 7.58401303 1.47534488 0.00023312
N 5.45229993 2.55461044 0.00433430
C 6.44262407 3.44257228 0.00449751
H 7.01214712 5.42383807 0.00149968
C 7.78827053 2.79976379 0.00294798
N 6.23608229 4.77645579 0.00524026
H 5.26963489 5.12165239 0.00396280
H 8.34759922 0.70328872 -0.00225959
H 8.73571981 3.33226338 0.00396328
units angstrom
no_reorient
symmetry c1
}

set {
    basis CC-pVDZ
    scf_type df
    opt_type min
    maxiter 500
    geom_maxiter 500
    g_convergence QCHEM
    print_trajectory_xyz_file true
    opt_coordinates cartesian
    step_type nr
}

optimize('b3lyp-d3', bsse_type='cp')
--------------------------------------------------------------------------

  Memory set to   7.451 GiB by Python driver.

Scratch directory: /scratch/project/open-27-55/mithun/tmp/s.8/

  //>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>//
  // ManyBody Setup: N-Body Levels [1, 2]//
  //<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<//

        Number of 1-body computations:     4
        Number of 2-body computations:     1

Traceback (most recent call last):
  File "/home/mmithun/miniconda3/bin/psi4", line 338, in <module>
    exec(content)
  File "<string>", line 58, in <module>
  File "/home/mmithun/miniconda3/lib//python3.10/site-packages/psi4/driver/driver.py", line 1245, in optimize
    G, wfn = gradient(lowername, return_wfn=True, molecule=molecule, **kwargs)
  File "/home/mmithun/miniconda3/lib//python3.10/site-packages/psi4/driver/driver.py", line 613, in gradient
    plan.compute()
  File "/home/mmithun/miniconda3/lib//python3.10/site-packages/psi4/driver/driver_nbody.py", line 1018, in compute
    t.compute(client=client)
  File "/home/mmithun/miniconda3/lib//python3.10/site-packages/psi4/driver/task_base.py", line 199, in compute
    self.result = qcng.compute(
  File "/home/mmithun/miniconda3/lib//python3.10/site-packages/qcengine/compute.py", line 105, in compute
    output_data = executor.compute(input_data, config)
  File "/home/mmithun/miniconda3/lib//python3.10/site-packages/qcengine/programs/psi4.py", line 121, in compute
    pversion = parse_version(self.get_version())
  File "/home/mmithun/miniconda3/lib//python3.10/site-packages/qcengine/programs/psi4.py", line 90, in get_version
    exc["proc"].wait(timeout=30)
  File "/home/mmithun/miniconda3/lib/python3.10/subprocess.py", line 1209, in wait
    return self._wait(timeout=timeout)
  File "/home/mmithun/miniconda3/lib/python3.10/subprocess.py", line 1935, in _wait
    raise TimeoutExpired(self.args, timeout)

subprocess.TimeoutExpired: Command '['/home/mmithun/miniconda3/bin/psi4', '--version']' timed out after 30 seconds


Printing out the relevant lines from the Psithon --> Python processed input file:
    core.set_global_option("GEOM_MAXITER", 500)
    core.set_global_option("G_CONVERGENCE", "QCHEM")
    core.set_global_option("PRINT_TRAJECTORY_XYZ_FILE", "true")
    core.set_global_option("OPT_COORDINATES", "cartesian")
    core.set_global_option("STEP_TYPE", "nr")
--> optimize('b3lyp-d3', bsse_type='cp')

!----------------------------------------------------------------------------------!
!                                                                                  !
!  Command '['/home/mmithun/miniconda3/bin/psi4', '--version']' timed out after 30 !
!     seconds                                                                      !
!                                                                                  !
!----------------------------------------------------------------------------------!

    Psi4 stopped on: Monday, 04 September 2023 05:30PM
    Psi4 wall time for execution: 0:00:47.23

*** Psi4 encountered an error. Buy a developer more coffee!
*** Resources and help at github.com/psi4/psi4.