[Pw_forum] on nosym=.true.

[Mahmoud Payami]

Dear Gabriele,
It stops after first scf calculation and declaring Total force, and afterward the ATOMIC_POSITIONS:

...
...
     convergence has been achieved in  23 iterations

     Forces acting on atoms (Ry/au):

     atom   1 type  1   force =     0.00000000    0.00000000    0.00536688
     atom   2 type  1   force =     0.00000000    0.00000000    0.00357281
     atom   3 type  1   force =     0.00000000    0.00000000   -0.00247112
     atom   4 type  1   force =     0.00000000    0.00000000    0.00167422
     atom   5 type  1   force =     0.00000000    0.00000000    0.00068009
     atom   6 type  1   force =     0.00000000    0.00000000   -0.00068009
     atom   7 type  1   force =     0.00000000    0.00000000   -0.00167422
     atom   8 type  1   force =     0.00000000    0.00000000    0.00247112
     atom   9 type  1   force =     0.00000000    0.00000000   -0.00357281
     atom  10 type  1   force =     0.00000000    0.00000000   -0.00536688

     Total force =     0.008549     Total SCF correction =     0.000304

     BFGS Geometry Optimization

     number of scf cycles    =   1
     number of bfgs steps    =   0

     energy   new            =     -41.8258632643 Ry

     new trust radius        =       0.2000000000 bohr
     new conv_thr            =       0.0000001000 Ry


ATOMIC_POSITIONS (angstrom)
Al       0.000000000   0.000000000   0.000000000    0   0   0
Al       1.428355698   0.824661547   2.376728451    0   0   1
Al       2.856711396   1.649323093   4.634396299    0   0   1
Al       0.000000000   0.000000000   7.018212974    0   0   1
Al       1.428355698   0.824661547   9.338400235    0   0   1
Al       2.856711396   1.649323093  11.654055553    0   0   1
Al       0.000000000   0.000000000  13.974242813    0   0   1
Al       1.428355698   0.824661547  16.358059488    0   0   1
Al       2.856711396   1.649323093  18.615727337    0   0   1
Al       0.000000000   0.000000000  20.926010890    0   0   1



 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from checkallsym : error #         1
     some of the original symmetry operations not satisfied 
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...
--------------------------------------------------------------------------
MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD 
with errorcode 0.

NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.
--------------------------------------------------------------------------
--------------------------------------------------------------------------
mpirun has exited due to process rank 0 with PID 5815 on
node hpc9.ctpm.aeoi.org exiting without calling "finalize". This may
have caused other processes in the application to be
terminated by signals sent by mpirun (as reported here).
--------------------------------------------------------------------------

Bests,
m.



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