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<H1><A ID="SECTION00040000000000000000">
3 GRID parallelization and recover</A>
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<P>
The <TT>ph.x</TT> code might start from scratch or recover an interrupted run.
In a recover run the input control flags are assumed to coincide with
those used in the interrupted run. The required quantities might be
found in <TT>.xml</TT> recover files and do not need to be recalculated.
If the quantities are found on file the following flags become
<TT>.TRUE.</TT>.
<P>
<PRE>
done_fpol, if .TRUE. all frequency dependent polarizabilities are known
done_epsil, if .TRUE. the dielectric constant is known
done_start_zstar, if .TRUE. zstareu0 is known
done_zeu, if .TRUE. zeu is known
done_lraman, if .TRUE. the raman tensor is known
done_elop, if .TRUE. the electron-optical coefficient is known
done_zue, if .TRUE. zue is known
done_elph if .TRUE. the electron-phonon coupling coefficient is known
</PRE>
<P>
The variables that control the grid are:
<P>
<PRE>
comp_iq(nqs)=.TRUE. ! .FALSE. when this q is not computed in
! this run (controlled by start_q, last_q,
! or by the image controller)
comp_irr_iq(0:3*nat,nqs)=.TRUE. ! .FALSE. for the representations that are
! not calculated in this run.
! (controlled by start_q, last_q,
! start_irr, last_irr,
! or by the image controller)
comp_iu(nfs)=.TRUE. ! .FALSE. for the frequencies not calculated
! in this run.
</PRE>
<P>
These variables are set at the beginning of the run on the basis of
the input and of the number of images requested by the calculation.
If this is a recover run some of these quantities might be already
available on file. The code checks what is already saved on files and
sets the corresponding flags:
<P>
<PRE>
done_iu(nfs)=.FALSE. ! .TRUE. when the polarization(iu) is available.
done_iq(nqs)=.FALSE. ! .TRUE. when the dyn. mat. and, if required, the
! electron-phonon coefficients at the q point
! have been calculated
done_bands(nqs)=.FALSE. ! .TRUE. when the bands for that q are already
! on disk
done_irr_iq(0:3*nat,nqs)=.FALSE. ! The representations that have been already
! calculated for each q are set .TRUE..
! The representation 0 is the part of the
! dynamical matrix computed by drho and
! dynmat0.
done_elph_iq(3*nat,nqs)=.FALSE. ! .TRUE. when the electron phonon coefficient
! for this irreducible representation and
! this q is available.
</PRE>
<P>
The phonon code might stop in the middle of a self-consistent linear response
run, or while it is computing the bands. This case is controlled
by a single code that is read from the files written on disk.
This is an integer that tells where the code stopped. This code
is used in several points to avoid too many flags checks. Saved
on disk in <TT>.xml</TT> file there is also a string.
The codes are the following:
<P>
<PRE>
! rec_code where_rec status description
!
! -1000 Nothing has been read. There is no recover file.
! -50 init_rep.. All displacement have been written on file.
! -40 phq_setup Only the displacements u have been read from file
! -30 phq_init u and dyn(0) read from file
! -25 solve_e_fp all previous. Stopped in solve_e_fpol. There
! should be a recover file.
! -20 solve_e all previous. Stopped within solve_e. There
! should be a recover file.
! -10 solve_e2 epsilon and zstareu are available if requested.
! Within solve_e2. There should be a recover file.
! 2 phescf all previous, raman tensor and elop tensor are
! available if required.
! 10 solve_linter all previous. Stopped within solve linter.
! Recover file should be present.
! 20 phqscf all previous dyn_rec(irr) and zstarue0_rec(irr) are
! available.
! 30 dynmatrix all previous, dyn and zstarue are available.
!
</PRE>
<P>
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