[Wien] Error in HF calculation

fabien.tran at vasp.at fabien.tran at vasp.at
Thu Feb 8 10:57:17 CET 2024


The file vectorhfdn_old is probably corrupted. Delete it and restart the 
calculation.

On 08.02.2024 05:19, shamik chakrabarti wrote:
> 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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