[Wien] lapw1 -c error

[vielmaj at onid.orst.edu]

Hello,

I maintain our Wien2k computer and a student sent me this error.  I am  
unable to pinpoint this error.

Thanks for your help,

Jason Vielma

--------------------------------------------------------------------------------

Quoting Robert Kykyneshi <kykynesr at science.oregonstate.edu>:
Jason,

There seems to be a problem still. For complex calculations
(non-centrosymmetric structure), the -c is dropped for the second iteration
and the calculation results in an error. Here are the .dayfile and .stdout.
You will notice that for complex calc the .in1c is used for iteration 1,
then for iteration 2 it is looking for .in1.

Thanks,
Robert

cycle 1         (Sat Oct 29 12:09:15 PDT 2011)         (40/99 to go)
lapw0         (12:09:15) 8.1u 0.1s 0:08.32 99.6% 0+0k 0+16576io 0pf+0w
lapw1  -c -up   -orb         (12:09:23) 4445.5u 16.2s 1:14:39.64 99.6%
0+0k 8464+5799392io 38pf+0w
lapw1  -c -dn   -orb         (13:24:03) 4453.1u 16.6s 1:14:47.78 99.6%
0+0k 7840+5799360io 2pf+0w
lapw2 -c -up            (14:38:51) 424.9u 9.1s 7:34.09 95.5% 0+0k
5717632+11664io 17pf+0w
lapw2 -c -dn            (14:46:25) 424.7u 9.0s 7:34.74 95.3% 0+0k
5674272+11696io 10pf+0w
lapwdm -up   -c        (14:54:00) 23.8u 1.2s 0:35.94 69.8% 0+0k
3345128+72io 27pf+0w
lapwdm -dn  -c        (14:54:36) 23.1u 0.9s 0:24.38 98.6% 0+0k 6192+72io
11pf+0w
lcore -up        (14:55:01) 0.0u 0.0s 0:00.08 37.5% 0+0k 1912+664io 5pf+0w
lcore -dn        (14:55:01) 0.0u 0.0s 0:00.06 50.0% 0+0k 6136+664io 0pf+0w
mixer         (14:55:01) 0.3u 0.1s 0:00.62 87.0% 0+0k 8096+26128io 12pf+0w
:ENERGY convergence:  0 0.0001 0 :CHARGE convergence:  0 0.0000 0

    cycle 2         (Sat Oct 29 14:55:02 PDT 2011)         (39/98 to go)
lapw0         (14:55:02) 7.9u 0.1s 0:08.24 98.7% 0+0k 3832+16592io 15pf+0w
orb -up         (14:55:10) 0.0u 0.0s 0:00.02 0.0% 0+0k 1792+32io 8pf+0w
orb -dn         (14:55:10) 0.0u 0.0s 0:00.00 0.0% 0+0k 0+32io 0pf+0w
lapw1  -up   -orb         (14:55:10) 0.0u 0.0s 0:00.15 0.0% 0+0k 2424+40io
13pf+0w error: command   /usr/local/WIEN/lapw1 uplapw1.def   failed
stop error
Stdout:
LAPW0 END
Invalid null command.
LAPW1 END
Invalid null command.
LAPW1 END
Invalid null command.
LAPW2 END
Invalid null command.
LAPW2 END
Invalid null command.
LAPWDM END
Invalid null command.
LAPWDM END
Invalid null command.
CORE  END
Invalid null command.
CORE  END
Invalid null command.
MIXER END
in cycle 2    ETEST: 0   CTEST: 0
hup: Command not found.
Invalid null command.
LAPW0 END
Invalid null command.
ORB   END
Invalid null command.
ORB   END
Invalid null command.
forrtl: severe (24): end-of-file during read, unit 5, file
/home/krobert/WIEN2k/Cu3PS4/Cu3PS4.in1
Image              PC                Routine            Line        Source

lapw1              0000000000E0DC76  Unknown               Unknown  Unknown
lapw1              0000000000E0CE76  Unknown               Unknown  Unknown
lapw1              0000000000DCBF2A  Unknown               Unknown  Unknown
lapw1              0000000000D9420E  Unknown               Unknown  Unknown
lapw1              0000000000D9381A  Unknown               Unknown  Unknown
lapw1              0000000000DB271B  Unknown               Unknown  Unknown
lapw1              000000000044506C  inilpw_                   363  inilpw.f
lapw1              0000000000447B97  MAIN__                     42
lapw1_tmp_.F
lapw1              000000000041178E  Unknown               Unknown  Unknown
libc.so.6          00002B3C8846830D  Unknown               Unknown  Unknown
lapw1              00000000004116A9  Unknown               Unknown  Unknown
stop error