[Wien] Error while running run_phonon
Ghosh SUDDHASATTWA
ssghosh at igcar.gov.in
Tue Jan 4 09:41:36 CET 2011
Dear Dr.Blaha,
I changed the run_phonon job file as per your suggestions which is shown
below
#!/bin/csh -f
#
set file=UZr2_phonon
#
foreach i ( 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 )
cd case_$i
echo running case_$i
#
# select other options if necessary
run_lapw -I -i 40 -cc 0.0001 -fc 0.1 -p
#
# select other save-name if necessary
save_lapw case_${i}_gga_rkm8.00_12000k
cd ..
end
However, this is the output which I got
> stop error
Fallback to compatibility mode with "old" save_lapw
broyden files deleted, clm*, dmat*, vorb*, vresp*, eece*, scf and struct
files s
aved under case_17_gga_rkm8.00_12000k
running case_18
forrtl: severe (64): input conversion error, unit 8, file
/group5/cg/sghosh/WIEN
2k/lapw/phonon/UZr2_phonon/case_18/case_18.clmsum
Image PC Routine Line Source
lapw0 00000000005159B2 Unknown Unknown Unknown
lapw0 0000000000514944 Unknown Unknown Unknown
lapw0 00000000004CBE96 Unknown Unknown Unknown
lapw0 0000000000495FEF Unknown Unknown Unknown
lapw0 00000000004958CC Unknown Unknown Unknown
lapw0 00000000004AFECE Unknown Unknown Unknown
lapw0 00000000004AD519 Unknown Unknown Unknown
lapw0 0000000000432661 MAIN__ 428 lapw0.F
lapw0 0000000000403782 Unknown Unknown Unknown
libc.so.6 000000347EC1D8A4 Unknown Unknown Unknown
lapw0 00000000004036A9 Unknown Unknown Unknown
> stop error
Fallback to compatibility mode with "old" save_lapw
broyden files deleted, clm*, dmat*, vorb*, vresp*, eece*, scf and struct
files s
aved under case_18_gga_rkm8.00_12000k
It possibly suggests a typo error (I am not sure, just guessing)
Can you please help in this regard
Suddhasattwa
SUDDHASATTWA GHOSH
Scientific Officer (D)
Pyrochemical Process Studies Section
Fuel Chemistry Division
Chemistry Group
Indira Gandhi Centre for Atomic Research
Kalpakkam
Tamilnadu
603102
India
Phone: 91-44-27480500 (Ext:24283)
Fax: 91-44-27480065
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