[Wien] Error in lapw2 running DOS calculation in parallel mode.
Yedu Kondalu
nykondalu at gmail.com
Wed Oct 30 12:51:14 CET 2013
Dear Prof. Peter Blaha,
I want to do a DOS calculation for a compound, First I ran SCF
calculation using 4 x 8 (= 32 processors) in my HPC and then I tried to
calculate DOS with same configuration 4 x 8 = 32 processors with a command
x lapw2 -qtl -p in the script file. But the job terminates with an error in
Lapw2.error file.
The error is the following
*Error in LAPW2
*
* 'LAPW2' - can't open unit: 30 **
'LAPW2' - filename: case.energy_5
*
Please suggest me how to rectify above error ?
Thanks in advance
Regards
Yedukondalu
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