[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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