[Wien] Error in HF calculation

shamik chakrabarti shamik15041981 at gmail.com
Thu Feb 8 05:19:53 CET 2024


Dear Wien2k users,

                I have started to run -hf for a 16 atom cell. The
simulation was running smoothly while at some time, power failure occurred
& the server got stopped. After the recovery, while I started to run -hf
again, the following error occurs (as shown in STDOUT)
STOP  LAPW0 END
STOP  LAPW0 END
STOP  LAPW1 END
STOP  LAPW1 END
STOP  LAPW2 END
STOP  LAPW2 END
STOP  CORE  END
STOP  CORE  END
STOP  HF    END
At line 151 of file read_cnk_tmp_.F (unit = 11, file =
'Li10C3B3_771.vectorhfdn_old')
Fortran runtime error: End of file

Error termination. Backtrace:
#0  0x1493c9520d11 in ???
#1  0x1493c9521859 in ???
#2  0x1493c952253f in ???
#3  0x1493c9765c4b in ???
#4  0x1493c97666ef in ???
#5  0x1493c97667d4 in ???
#6  0x1493c9768c3a in ???
#7  0x1493c9769514 in ???
#8  0x55a21007b76f in ???
#9  0x55a210073b38 in ???
#10  0x55a20ffac04e in ???
#11  0x1493c919a082 in __libc_start_main
at ../csu/libc-start.c:308
#12  0x55a20ffac0dd in ???
#13  0xffffffffffffffff in ???
>   stop error

Any response in this regard is highly appreciated.

with regards,.
-- 
Dr. Shamik Chakrabarti
Research Fellow
Department of Physics
Indian Institute of Technology Patna
Bihta-801103
Patna
Bihar, India
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