[Wien] I/O-Error in dstart
Michael Frotscher
frotscher at chemie.uni-hamburg.de
Fri Sep 19 16:23:52 CEST 2003
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Hello, Wien-ML
when trying to run a rather large and complicated cell (CuB23, rhombohedral
crystal cell) I run into the following error:
Commandline: x dstart -p
Program input is: ""
*** FORTRAN I/O ERROR 933: END (OR BEGIN) OF FILE WITH NO "END=" SPECIFIER
FILE: cub23.rsp, UNIT: 81
LAST FORMAT: (43X,I5)
( 0) 0xc0000000002f90b4 __io_ded + 0x464 [/usr/lib/pa20_64//libcl.2]
( 1) 0xc0000000002fe5e8 check_read + 0x70 [/usr/lib/pa20_64//libcl.2]
( 2) 0xc0000000002feb44 read_to_newline + 0x39c
[/usr/lib/pa20_64//libcl.2]
( 3) 0xc0000000002ff29c __read_seq_record + 0x34
[/usr/lib/pa20_64//libcl.2]
( 4) 0xc0000000002fefd4 __new_record + 0xa4 [/usr/lib/pa20_64//libcl.2]
( 5) 0xc0000000002ef980 ____F90_START_IO + 0x8a8
[/usr/lib/pa20_64//libcl.2]
( 6) 0x4000000000015f04 _start + 0x1e6c [/home1/fcdv082/wien2k/dstart]
111.4u 1.2s 1:53 99%
Admittedly I have no idea what this could mean and the file dstart.error
contains the single, most informative line that there has been an error in
dstart...
Smaller cells (still fooling around with cubic and hexagonal ZnS) are
calculated fine.
Thanks in Advance,
- --
Michael Frotscher
Institute of Inorganic and Applied Chemistry
University of Hamburg, Germany
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