[Wien] Reg: Error while running band structure SP+SO case in parallel

[Peram sreenivasa reddy]

Dear Wien2k,

I am getting error while calculating band structure in spin orbit case for
a magnetic material.
Here are the commands.

For scf calculations i gave the following command
*runsp_lapw -so -ec 0.000001 -p*
It completed successfully.

After that i created case.klist_band and i gave Ef value in case.insp file.
Then i try to gave the following commands.


*x lapw1 -band -up -p*

*x lapw1 -band -dn -p*

*x lapwso -band -up -p*

*x lapwso -band -dn -p*

*x irrep -so -up -p*

*x irrep -so -dn -p*

*x spaghetti -so -up -p*


*x spaghetti -so -dn -p*
First i want to know that the series of commands are correct or not for a
magnetic system with including SO case.

when i give *x lapwso -band -up -p* it is giving error as shown bellow.



running LAPWSO in parallel mode
[1] 7096
forrtl: severe (24): end-of-file during read, unit 55, file
/home/workstation2/sreenivas/Mn_based/XXXX/Theo_parameter/GGA/so/GGA/GGA.energyup_1
Image              PC                Routine            Line
Source
lapwso             00000000004E8DED  Unknown               Unknown  Unknown
lapwso             00000000004E78F5  Unknown               Unknown  Unknown
lapwso             000000000048FEB0  Unknown               Unknown  Unknown
lapwso             000000000045207A  Unknown               Unknown  Unknown
lapwso             0000000000451870  Unknown               Unknown  Unknown
lapwso             000000000047101C  Unknown               Unknown  Unknown
lapwso             0000000000421245  MAIN__                     81  lapwso.f
lapwso             0000000000404B9C  Unknown               Unknown  Unknown
libc.so.6          00002B68A4A2976D  Unknown               Unknown  Unknown
lapwso             0000000000404A99  Unknown               Unknown  Unknown
[1]  + Done                   ( cd $PWD; $t $exe ${def}_${loop}.def; rm -f
.lock_$lockfile[$p] ) >>  ...
[1] 7102
forrtl: severe (24): end-of-file during read, unit 55, file
/home/workstation2/sreenivas/Mn_based/XXXX/Theo_parameter/GGA/so/GGA/GGA.energyup_2
Image              PC                Routine            Line
Source
lapwso             00000000004E8DED  Unknown               Unknown  Unknown
lapwso             00000000004E78F5  Unknown               Unknown  Unknown
lapwso             000000000048FEB0  Unknown               Unknown  Unknown
lapwso             000000000045207A  Unknown               Unknown  Unknown
lapwso             0000000000451870  Unknown               Unknown  Unknown
lapwso             000000000047101C  Unknown               Unknown  Unknown
lapwso             0000000000421245  MAIN__                     81  lapwso.f
lapwso             0000000000404B9C  Unknown               Unknown  Unknown
libc.so.6          00002AE507DD176D  Unknown               Unknown  Unknown
lapwso             0000000000404A99  Unknown               Unknown  Unknown
[1]  + Done                   ( cd $PWD; $t $exe ${def}_${loop}.def; rm -f
.lock_$lockfile[$p] ) >>  ...
[1] 7108
forrtl: severe (24): end-of-file during read, unit 55, file
/home/workstation2/sreenivas/Mn_based/MnAlGe/Theo_parameter/GGA/so/GGA/GGA.energyup_3
Image              PC                Routine            Line
Source
lapwso             00000000004E8DED  Unknown               Unknown  Unknown
lapwso             00000000004E78F5  Unknown               Unknown  Unknown
lapwso             000000000048FEB0  Unknown               Unknown  Unknown
lapwso             000000000045207A  Unknown               Unknown  Unknown
lapwso             0000000000451870  Unknown               Unknown  Unknown
lapwso             000000000047101C  Unknown               Unknown  Unknown
lapwso             0000000000421245  MAIN__                     81  lapwso.f
lapwso             0000000000404B9C  Unknown               Unknown  Unknown
libc.so.6          00002B4D9752376D  Unknown               Unknown  Unknown
lapwso             0000000000404A99  Unknown               Unknown  Unknown
[1]  + Done                   ( cd $PWD; $t $exe ${def}_${loop}.def; rm -f
.lock_$lockfile[$p] ) >>  ...
[1] 7114
forrtl: severe (24): end-of-file during read, unit 55, file
/home/workstation2/sreenivas/Mn_based/XXXX/Theo_parameter/GGA/so/GGA/GGA.energyup_4
Image              PC                Routine            Line
Source
lapwso             00000000004E8DED  Unknown               Unknown  Unknown
lapwso             00000000004E78F5  Unknown               Unknown  Unknown
lapwso             000000000048FEB0  Unknown               Unknown  Unknown
lapwso             000000000045207A  Unknown               Unknown  Unknown
lapwso             0000000000451870  Unknown               Unknown  Unknown
lapwso             000000000047101C  Unknown               Unknown  Unknown
lapwso             0000000000421245  MAIN__                     81  lapwso.f
lapwso             0000000000404B9C  Unknown               Unknown  Unknown
libc.so.6          00002AAD6667976D  Unknown               Unknown  Unknown
lapwso             0000000000404A99  Unknown               Unknown  Unknown
[1]  + Done                   ( cd $PWD; $t $exe ${def}_${loop}.def; rm -f
.lock_$lockfile[$p] ) >>  ...
[1] 7120
OPEN FAILED
[1]  + Done                   ( cd $PWD; $t $exe ${def}_${loop}.def; rm -f
.lock_$lockfile[$p] ) >>  ...
[1] 7126
OPEN FAILED
[1]  + Done                   ( cd $PWD; $t $exe ${def}_${loop}.def; rm -f
.lock_$lockfile[$p] ) >>  ...
**  LAPWSO crashed!
0.0u 0.0s 0:06.14 0.6% 0+0k 0+968io 0pf+0w
error: command   /home/workstation2/wien13/lapwsopara -up -band
lapwso.def   failed


First i want to know the series of commands correct or not in SP+SO case
with parallel?
How to overcome the error?

Thank you very much in advance .....

-- 
*P.V.SREENIVASA REDDY*

*Research ScholarDepartment of Physics *
*Indian Institute of Technology*
*Hyderabad*
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