[Wien] Min_lapw Errors

晨晨 chiniku at qq.com
Thu Sep 3 06:29:36 CEST 2020


Dear W2k developers and users,
 
  The wien2k version is 19.2 on Linux with gfortran, OpenBlas and openmpi. Now executing min_lapw occurs errors as the following: 
 
[YG@]$ min_lapw -j 'run_lapw -I -fc 1.0 -i 60'
 
STOP DSTART ENDS
 
6.269u 0.719s 0:00.95 733.6%    0+0k 0+952io 0pf+0w
 
STOP  LAPW0 END
 
STOP  LAPW1 END
 
STOP  LAPW2 END
 
STOP  CORE  END
 
STOP  MIXER END
 
ec cc and fc_conv 1 1 0
 
in cycle 2    ETEST: 0   CTEST: 0
 
STOP  LAPW0 END
 
STOP  LAPW1 END
 
STOP  LAPW2 END
 
STOP  CORE  END
 
STOP  MIXER END
 
ec cc and fc_conv 1 1 0
 
in cycle 3    ETEST: 0   CTEST: 0
 
STOP  LAPW0 END
 
STOP  LAPW1 END
 
STOP  LAPW2 END
 
STOP  CORE  END
 
STOP  MIXER END
 
ec cc and fc_conv 1 1 0
 
in cycle 4    ETEST: 0   CTEST: 0
 
STOP  LAPW0 END
 
STOP  LAPW1 END
 
STOP  LAPW2 END
 
STOP  CORE  END
 
STOP  MIXER END
 
ec cc and fc_conv 1 1 1
 
>   stop
 
At line 23 of file wrtscf.f
 
Fortran runtime error: Bad value during floating point read
 
 
 
Error termination. Backtrace:
 
#0  0x2af8d1010480 in formatted_transfer_scalar_read
 
        at ../.././libgfortran/io/transfer.c:1594
 
#1  0x2af8d1011a1c in formatted_transfer
 
        at ../.././libgfortran/io/transfer.c:2270
 
#2  0x41310b in ???
 
#3  0x40974a in ???
 
#4  0x40ca09 in ???
 
#5  0x40cb0c in ???
 
#6  0x2af8d195cd5c in ???
 
#7  0x401458 in ???
 
 
 Best regards.
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