[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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