[Wien] IBM AIX error

[Oliver Albertini]

Dear WIEN2k users,

I recently compiled 12.1 on AIX (v 6.1) pwr6. Like Luis, I also had to make
some changes to SRC's in order to finish the compilation. These were mostly
issues with xlf like syntax. 9.2 was the most recent version before this.

To check the program, ran NiO 2x2x2 supercell.
init_lapw went well, and upon running runsp_lapw, got the following output:

# runsp_lapw
hup: Command not found.
STOP  LAPW0 END
STOP  LAPW1 END
STOP  LAPW1 END
STOP  LAPW2 END
syntax error on line 1 stdin
STOP  LAPW2 END
syntax error on line 1 stdin
STOP  CORE  END
STOP  CORE  END
STOP  MIXER END
Sending nohup output to nohup.out.
hup: Command not found.
STOP  LAPW0 END
STOP  LAPW1 END
STOP  LAPW1 END
STOP  LAPW2 END
syntax error on line 1 stdin
STOP  LAPW2 END
syntax error on line 1 stdin
STOP  CORE  END
STOP  CORE  END
STOP  MIXER END
Sending nohup output to nohup.out.
hup: Command not found.
STOP  LAPW0 END
STOP  LAPW1 END
STOP  LAPW1 END
STOP  LAPW2 END
syntax error on line 1 stdin
STOP  LAPW2 END
syntax error on line 1 stdin
STOP  CORE  END
STOP  CORE  END
STOP 1

>   stop error


I ran a few more times with '-NI' and got a few more cycles out. The
energies are reasonable in comparison with other machines. in mixer.error,
the following was printed:

Error in MIXER

Also , the NiO.output2up/dn files have the line 'no read error', and
NiO.outputm says the following:

DGEEV : 2538-2099
End of input argument error reporting. For more information, refer to
Engineering and Scientific Subroutine Library Guide and Reference
(SA22-7904).

DGEEV : 2538-2604
Execution terminating due to error count for error number 2099.

Finally, the dayfile reveals the following error:

error: command   /usr/bin/WIEN2k/12.1/mixer mixer.def   failed

mixer was the last program that I compiled, and I had to install a 64-bit
version of LAPACK to make this work, since the routines dggglm and dgelsy
were coming back as undefined symbols.

I look forward to hearing suggestions.

Sincerely,

Oliver Albertini
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