CASINO v2.13.891 [Mike Towler] (20 March 2021)
Running on vladimir-Kubuntu [linuxpc-gcc-parallel.openblas]
Binary compiled in opt mode
Job started: Ср 14 апр 2021 16:18:08 +07
 ------------------------------------------------------------------------------

                   #####
                  ##   ##    ##     ####   ##  #   ##   ####
                  ##        ####   ##      ##  ##  ##  ##  ##
                  ##       ##  ##   ####   ##  ### ##  ##  ##
                  ##       ######      ##  ##  ## ###  ##  ##
                  ##   ##  ##  ##  ##  ##  ##  ##  ##  ##  ##
                   #####   ##  ##   ####   ##  ##   #   ####

                              Quantum Monte Carlo
                 CASINO v2.13.891 [Mike Towler] (20 March 2021)

    Main Authors : R.J. Needs, M.D. Towler, N.D. Drummond, and P. Lopez Rios

       Required citation in publications arising from the use of CASINO:
     R.J. Needs, M.D. Towler, N.D. Drummond, P. Lopez Rios, and J.R. Trail,
                       J. Chem. Phys. 152, 154106 (2020).
                       https://doi.org/10.1063/1.5144288

                 CASINO web page: https://vallico.net/casinoqmc

                      Current contact: mdt26 at cantab.net

 ------------------------------------------------------------------------------
 Started 2021/04/14 16:18:09.198

 Running in parallel using 8 MPI processes.

 General input parameters
 ========================
 NEU (num up spin electrons)              :  2
 NED (num down spin electrons)            :  2
 RUNTYPE (type of run)                    :  vmc_opt
 PSI_S  (form for [anti]symmetrizing wfn) :  slater
 ATOM_BASIS_TYPE (atom-centred orb basis) :  slater-type
 INTERACTION (interaction type)           :  coulomb
 TESTRUN (read input data,print and stop) :  F
 PERIODIC                                 :  F
 COMPLEX_WF (complex Slater wave fn.)     :  F
 NEIGHPRINT (neighbour analysis)          :  0
 USE_JASTROW (use Jastrow factor)         :  F
 BACKFLOW (use backflow corrections)      :  T
 DBARRC (DBAR recalculation period)       :  100000
 USE_DETLA (DLA approx. to NL PP)         :  F
 NON_LOCAL_GRID (NL integration grid)     :  4
 E_OFFSET (energy offset)                 :  0.0000
 ESUPERCELL                               :  F
 SPARSE                                   :  F
 DIPOLE_MOMENT                            :  F
 CHECKPOINT (checkpointing level)         :  1
 CHECKPOINT_NCPU (chkpnt group size)      :  8
 CON_LOC (Dir to read/write config.*)     :  ./
 RELATIVISTIC                             :  F

 VMC/optimization input parameters
 =================================
 NEWRUN (start new run)                   :  T
 VMC_METHOD (choice of VMC algorithm)     :  1
 DTVMC (VMC time step)                    :  1.0000E-01
 OPT_DTVMC (VMC time-step optimization)   :  1
 VMC_NSTEP (num VMC steps)                :  10000
 VMC_NCONFIG_WRITE (num configs to write) :  10000
 VMC_NBLOCK (num VMC blocks)              :  10
 VMC_EQUIL_NSTEP (num equil steps)        :  5000
 VMC_DECORR_PERIOD (length of inner loop) :  0 (automatic)
 VMC_AVE_PERIOD (hist reduction factor)   :  1
 VMC_SAMPLING                             :  standard
 MAKEMOVIE                                :  F
 FORCES                                   :  F
 OPT_CYCLES (num optimization cycles)     :  1
 POSTFIT_VMC (perform post-fit VMC calc)  :  T
 POSTFIT_KEEP_CFG (keep post-fit VMC cfgs):  F
 OPT_NOCTF_CYCLES (fixed cutoff cycles)   :  0
 OPT_INFO (information level)             :  2
 OPT_JASTROW (opt Jastrow factor)         :  F
 OPT_DET_COEFF (opt det coeffs)           :  F
 OPT_ORBITALS (opt orbitals)              :  F
 OPT_BACKFLOW (opt backflow params)       :  T
 OPT_FIXNL (fix nonlocal energy)          :  F
 OPT_MAXITER (max num iterations)         :  10
 VM_SMOOTH_LIMITS (smooth limiting)       :  T
 EMIN_XI_VALUE (xi parameter)             :  1.0

 Particles
 =========
 Particle name                 Charge        Mass         Spin   Type
 -------------------------------------------------------------------------
 1: Spin-up electron          -1.00000       1.0000000     0.5   Fermion
 2: Spin-down electron        -1.00000       1.0000000    -0.5   Fermion
 -------------------------------------------------------------------------

 Number of diffusion types : 1

 Single-particle groupings
 -------------------------
 Spin dep. 0 : (1,2) [F] [E]
 Spin dep. 1 : (1) (2)

 NB, partitions defining spin-[F]amilies and [E]quivalent particles flagged.

 Particle-pair groupings
 -----------------------
 Spin-pair dep. 0 : (1-1,1-2,2-2)
 Spin-pair dep. 1 : (1-1,2-2) (1-2)
 Spin-pair dep. 2 : (1-1) (1-2) (2-2)

 Initialize random number generator
 ==================================
 Generator                                 :  RANLUX
 RANLUX luxury level                       :  3
 p value                                   :  223
 Value of random seed on MPI process 0     :  18040806

 Initialized with seed derived from timer.

 Reading correlation.data
 ========================
 Header:
   No title given.
 Version of correlation.data : 1
 A backflow function is present in correlation.data.

 No multideterminant/excitation data supplied.
 Using ground state defined in xwfn.data file.

 Reading STO wave function and associated data
 =============================================

 Title: Be

 Generated by                              :  ADF
 Periodicity                               :  0 (molecule)
 Spin restricted?                          :  Yes
 Total number of electrons                 :  4

 Basis set information

 Number of STO centres                     :  1
 Number of shells                          :  14
 First shell on centre:
    1   15
 Number of shells on centre:
   14
 Number of basis fns                       :  40
 Single determinant :

 Det 1 spin 1           : ground state
 Det 1 spin 2           : ground state
 Det 1 coefficient      : 1.00000000

 Pseudopotentials
 ================
 No pseudopotential for Be - treating as all-electron.

 Geometry derived from information in stowfn.data
 ==============================================

 Simulation cell : Finite (atomic/molecular geometry)

 Atom Atno  Type              Position (Cartesian au)
 -------------------------------------------------------------
    1   4   1         0.00000000     0.00000000     0.00000000


 STO data setup
 ==============
 STO data setup complete.

 Expectation values
 ==================
 None requested.

 Interactions
 ============
 Interaction type: Coulomb
 System is aperiodic. Using 1/r only.

 Backflow setup
 ==============
 Reading correlation.data file.

 Backflow function:
  Title:  title
  Truncation order       :  0
  Discontinuities        :  Wave function, local energy

  Phi term:
   Number of sets        :  1
   Set 1
    Atoms in set         :  1
    The atoms are        :  1
    Type of cusp conds.  :  AE with cusp
    Irrotational constr. :  Applied
    Expansion order e-N  :  5
    Expansion order e-e  :  4
    Spin dependence      :  1
    Cutoff (optimizable) :  5.000000000000

--Job's stderr--


Program received signal SIGSEGV: Segmentation fault - invalid memory reference.

Backtrace for this error:

Program received signal SIGSEGV: Segmentation fault - invalid memory reference.

Backtrace for this error:

Program received signal SIGSEGV: Segmentation fault - invalid memory reference.

Backtrace for this error:

Program received signal SIGSEGV: Segmentation fault - invalid memory reference.

Backtrace for this error:

Program received signal SIGSEGV: Segmentation fault - invalid memory reference.

Backtrace for this error:

Program received signal SIGSEGV: Segmentation fault - invalid memory reference.

Backtrace for this error:
#0  0x7f08fdff8d01 in ???
#1  0x7f08fdff7ed5 in ???
#2  0x7f08fdc9420f in ???
#3  0x5609a914cc88 in ???
#4  0x5609a9181486 in ???
#5  0x5609a90e1288 in ???
#6  0x5609a90850ba in ???
#7  0x5609a8b61a7e in ???
#8  0x7f08fdc750b2 in ???
#9  0x5609a8b61add in ???
#10  0xffffffffffffffff in ???
#0  0x7f51a5c40d01 in ???
#1  0x7f51a5c3fed5 in ???
#2  0x7f51a58dc20f in ???
#3  0x558d7194ec88 in ???
#4  0x558d71983486 in ???
#5  0x558d718e3288 in ???
#6  0x558d718870ba in ???
#7  0x558d71363a7e in ???
#8  0x7f51a58bd0b2 in ???
#9  0x558d71363add in ???
#10  0xffffffffffffffff in ???
#0  0x7f244a185d01 in ???
#1  0x7f244a184ed5 in ???
#2  0x7f2449e2120f in ???
#3  0x564712a61c88 in ???
#4  0x564712a96486 in ???
#5  0x5647129f6288 in ???
#6  0x56471299a0ba in ???
#7  0x564712476a7e in ???
#8  0x7f2449e020b2 in ???
#9  0x564712476add in ???
#10  0xffffffffffffffff in ???
#0  0x7f1d5419ed01 in ???
#1  0x7f1d5419ded5 in ???
#2  0x7f1d53e3a20f in ???
#3  0x561f15c73c88 in ???
#4  0x561f15ca8486 in ???
#5  0x561f15c08288 in ???
#6  0x561f15bac0ba in ???
#7  0x561f15688a7e in ???
#8  0x7f1d53e1b0b2 in ???
#9  0x561f15688add in ???
#10  0xffffffffffffffff in ???
#0  0x7fb0c91bed01 in ???
#1  0x7fb0c91bded5 in ???
#2  0x7fb0c8e5a20f in ???
#3  0x55e43451cc88 in ???
#4  0x55e434551486 in ???
#5  0x55e4344b1288 in ???
#6  0x55e4344550ba in ???
#7  0x55e433f31a7e in ???
#8  0x7fb0c8e3b0b2 in ???
#9  0x55e433f31add in ???
#10  0xffffffffffffffff in ???
#0  0x7fa4dc60dd01 in ???
#1  0x7fa4dc60ced5 in ???
#2  0x7fa4dc2a920f in ???
#3  0x55c184fa9c88 in ???
#4  0x55c184fde486 in ???
#5  0x55c184f3e288 in ???
#6  0x55c184ee20ba in ???
#7  0x55c1849bea7e in ???
#8  0x7fa4dc28a0b2 in ???
#9  0x55c1849beadd in ???
#10  0xffffffffffffffff in ???
--------------------------------------------------------------------------
Primary job  terminated normally, but 1 process returned
a non-zero exit code. Per user-direction, the job has been aborted.
--------------------------------------------------------------------------
--------------------------------------------------------------------------
mpirun noticed that process rank 3 with PID 0 on node vladimir-Kubuntu exited on signal 11 (Segmentation fault).
--------------------------------------------------------------------------

Job finished: Ср 14 апр 2021 16:18:09 +07
