******************************************************************************************
                                Welcome to MULTIBINIT,                         
 a software platform designed for the construction and use of second-principles models
                   for lattice, spin and electron degrees of freedom.

.Version 9.11.2 of MULTIBINIT 
.(MPI version, prepared for a x86_64_linux_gnu9.3 computer) 

.Copyright (C) 1998-2024 ABINIT group . 
 MULTIBINIT comes with ABSOLUTELY NO WARRANTY.
 It is free software, and you are welcome to redistribute it
 under certain conditions (GNU General Public License,
 see ~abinit/COPYING or http://www.gnu.org/copyleft/gpl.txt).

 MULTIBINIT is a software project of the University of Liege
 (PHYTHEMA & NANOMAT groups), in collaboration with other partners.

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

                          MULTIBINIT - LATTICE MODELS                   

 Project initiated and coordinated by Philippe GHOSEZ and his group at ULiege
   (Philippe.Ghosez@uliege.be).

 Main contributors: Alexandre MARTIN, Jordan BIEDER, Michael Marcus SCHMITT,
   Louis BASTOGNE, Xu HE, Alireza SASANI, Huazhang ZHANG, Subhadeep BANDYOPADHYAY,
   Philippe GHOSEZ.

 Technical support: Xu HE (X.He@uliege.be)

*****************************************************************************************



.Starting date : Sat 15 Jul 2023.
- ( at 12h09 )
  
-  nproc =    1

================================================================================

 Read the information in the reference structure in 
-/home/buildbot/ABINIT/alps_gnu_9.3_openmpi/trunk__gonze3/tests/v8/Input/t98_model.xml
 to initialize the multibinit input

================================================================================

 -outvars_multibinit: echo values of input variables ----------------------

 Flags : 
     ifcflag         1
     strcpli        -1
Optimize Effective Potential :
        opt_ncoeff  2
         opt_coeff         10     15
 Miscellaneous information :
         asr         2
 Interatomic Force Constants Inputs :
      dipdip         1
dipdip_range         2         2         2
      ifcana         0
      ifcout   2000000
      natifc         5
       atifc         1   2   3   4   5
 Description of grid 1 :
        brav         1
       ngqpt         2         2         2
      nqshft         1
      q1shft
                     0.00000000E+00  0.00000000E+00  0.00000000E+00
 First list of wavevector (reduced coord.) :
       nph1l         1
       qph1l
                     0.00000000E+00  0.00000000E+00  0.00000000E+00    0.000E+00

================================================================================

-Opening the file /home/buildbot/ABINIT/alps_gnu_9.3_openmpi/trunk__gonze3/tests/v8/Input/t98_model.xml
-Reading the file /home/buildbot/ABINIT/alps_gnu_9.3_openmpi/trunk__gonze3/tests/v8/Input/t98_model.xml with Fortran

 Bound for ifc SR:

 x=[ -1  1], y=[ -1  1] and z=[ -1  1]

================================================================================
 Generation of new ifc

 dipdip is set to one, the dipole-dipole interation is recompute.

 Bound for ifc (LR):

 x=[  0  1], y=[  0  1] and z=[  0  1]

 Computation of new dipole-dipole interaction.

 Impose acoustic sum rule on total ifc

================================================================================

 Read the coefficients of the polynomial fit from XML and perform some checks

-Opening the file /home/buildbot/ABINIT/alps_gnu_9.3_openmpi/trunk__gonze3/tests/v8/Input/t98_model.xml
-Reading the file /home/buildbot/ABINIT/alps_gnu_9.3_openmpi/trunk__gonze3/tests/v8/Input/t98_model.xml with Fortran

================================================================================

 There is no file for the coefficients from polynomial fitting

================================================================================

-Reading the training-set file :
-/home/buildbot/ABINIT/alps_gnu_9.3_openmpi/trunk__gonze3/tests/v8/Input/t98.nc


================================================================================

Optimizing Effective Potential


 Mean Standard Deviation values of the effective-potential
 with respect to the training-set before optimization (meV^2/atm):
   Energy          :   1.0217083522426135E-01
 Goal function values of the effective.potential
 with respect to the test-set (eV^2/A^2):
   Forces+Stresses :   8.3648035769898243E-04
   Forces          :   5.7262029535544413E-04
   Stresses        :   2.6386006234353836E-04


 Mean Standard Deviation values of the effective-potential
 with respect to the training-set after deleting selected terms (meV^2/atm):
   Energy          :   1.1239465854858535E-01
 Goal function values of the effective.potential
 with respect to the test-set (eV^2/A^2):
   Forces+Stresses :   1.0247762887074989E-03
   Forces          :   7.6089189702714763E-04
   Stresses        :   2.6388439168035133E-04


 Mean Standard Deviation values of the effective-potential
 with respect to the training-set after optimizing selected terms (meV^2/atm):
   Energy          :   9.3130721904624875E-02
 Goal function values of the effective.potential
 with respect to the test-set (eV^2/A^2):
   Forces+Stresses :   7.9986081646627285E-04
   Forces          :   5.3582775816215763E-04
   Stresses        :   2.6403305830411522E-04


================================================================================

-
- Proc.   0 individual time (sec): cpu=          9.8  wall=          9.8

================================================================================

+Total cpu time      9.811  and wall time      9.831 sec

 multibinit : the run completed succesfully.