Dear Jacopo,
It's hard to understand what's happening without the error, the only
error that I see in your input is in recover.
Recover =true, >>>> recover =.true.,
Best regards
Oscar Baseggio
Il 2020-10-19 01:35 Jacopo Simoni ha scritto:
Dear QE users,
I am running a phonon calculation, the calculation is quite long and
expensive so I need to restart it a couple of times before I complete
it.
The first run ends smoothly, but when I try to restart it I get an
error because it is not able to restart from the previous run.
This is my input file
%%%%%%%%%%%%%%%%%%%%%%%%%%%%
phonons - mithrene
&inputph
recover=true,
max_seconds=39600,
tr2_ph=1.0d-12,
prefix='mthr',
ldisp=.true.,
nq1=1, nq2=1, nq3=1,
amass(1)=107.86820,
amass(2)=78.96000,
amass(3)=12.01070,
amass(4)=1.00794,
outdir='/lustre/scratch3/turquoise/jacopo/mithrene3/data.save/',
fildyn='mthr.dyn',
/
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
I appreciate any suggestion.
Thanks, Jacopo Simoni
Research associate, Lawrence Berkeley National Lab.
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_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list [email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
