[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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