Looks basically the same as the kgen error in the post at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg05507.html

As derived from that post, a problem probably occurred and was ignored earlier during the execution of the elastic program (I didn't try to deduce which one [e.g., IRelast: http://susi.theochem.tuwien.ac.at/reg_user/textbooks/usersguide.pdf (section 8.8 on page 147 in the WIEN2k 14.2 usersguide) or ElaStic: http://exciting-code.org/elastic ]).

The end-of-file during read error message seems to indicate that there is incomplete data in your KZnSb-Wurtz-GGA.struct in directory /home/nadin/WIEN2k/KZnSb-Wurtz-GGA/elast-constant/c11+c12/KZnSb-Wurtz-GGA/.

Did you check KZnSb-Wurtz-GGA.struct? Is it empty when it should not be? After copying KZnSb-Wurtz-GGA.struct to another location while in a KZnSb-Wurtz-GGA folder, did it pass the struct file checks during init_lapw (x nn, x sgroup, x symmetry) without any errors?

The Line column in the diagnostic output has just Unknown. The lack of a line number might indicate that the program was not compiled with -traceback. If you did not compile with -traceback, recompiling with -traceback might give line number and source file information in the diagnostic output [ https://software.intel.com/en-us/node/694535 ]. You might be able to use that information to help narrow down which data in the struct file is incomplete or missing.

On 12/10/2016 9:12 AM, guendouz nadin wrote:
inversion is NOT present
>input files for lapw1c/2c prepared, no inversion present(14:36:47)
next is kgen
forrtl: severe (24): end-of-file during read, unit 20, file /home/nadin/WIEN2k/KZnSb-Wurtz-GGA/elast-constant/c11+c12/KZnSb-Wurtz-GGA/KZnSb-Wurtz-GGA.struct
ImagePCRoutineLineSource
kgen00000000004895AEUnknownUnknownUnknown
kgen0000000000488046UnknownUnknownUnknown
kgen00000000004634C2UnknownUnknownUnknown
kgen0000000000451B0C UnknownUnknownUnknown
kgen000000000045102CUnknownUnknownUnknown
kgen000000000041DB30UnknownUnknownUnknown
kgen0000000000402DCAUnknownUnknownUnknown
kgen000000000040276CUnknownUnknownUnknown
libc.so.600002B41B76E6B05UnknownUnknownUnknown
kgen0000000000402669UnknownUnknownUnknown
n stop error n
cp: cannot stat ‘KZnSb-Wurtz-GGA.clmsum’: No such file or directory
new_super.clmsum not present, no extrapolation in this cycle
starting parallel dstart at Fri Dec9 14:36:47 EET 2016
-------- .machine0 : processors
running dstart in single mode
ERROR IN STRUCT FILE READ
**dstart crashed!
cat: No match.
0.020u 0.012s 0:00.07 42.8%0+0k 0+56io 0pf+0w
error: command/home/nadin/Wien14/dstartpara -c dstart.deffailed
no KZnSb-Wurtz-GGA.clmsum(_old) file found, which is necessary for lapw0 !
>stop error
_______________________________________________
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

Reply via email to