[Pw_forum] "cannot open xml_recover file for writing"
shu xu
sxu2 at ncsu.edu
Mon Oct 19 21:30:08 CEST 2009
Dear users:
When I submitted for the second time and restarted the ph calculation, it
failed due to the following reason.
How can I solve this problem?
Electric Fields Calculation
iter # 8 total cpu time : 539.9 secs av.it.: 2.6
thresh= 0.423E-05 alpha_mix = 0.700 |ddv_scf|^2 = 0.313E-08
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
from ph_writefile : error # 37
cannot open xml_recover file for writing
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
my input of ph is as follows.
When I submited it for the 1st time, I didn't add recover=.true.
When time was up , I set recover = .true and submited again,
then crashed.
&inputph
tr2_ph=1.0d-14,
prefix='SC',
amass(1)=1.00794,
amass(2)=12.0107,
amass(3)=28.0855,
outdir='./',
recover =.true.,
epsil=.true.,
lraman=.true.,
trans=.true.,
asr=.true.
fildyn='sc.dyn'
/
0.0 0.0 0.0
Shu Xu
Dept. of Physics
NCSU
USA
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