Hard to say. Do you have the required energy files ???
ls -als *.energy*
lapw2 uses .processes file and not .machines file, thus in
runs with a queuing system this may lead to problems.
I suggest a new job with
x lapw1 -p
x lapw2 -qtl -p
Am 30.10.2013 12:51, schrieb Yedu Kondalu:
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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-----------------------------------------
Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pbl...@theochem.tuwien.ac.at
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