Problems in the Solaris !?!?!?
Hi All,
I am running the Dalton 1.2 in Solaris (Ultrasparc Computer with 1GB
RAM, 15GB in the work space). I have been trying to run a Shielding
Constants and Spin-Spin Coupling calculation of benzene,
RHF/AhlrichsVTZ, but the program stop and write:
Anybody can help me?
Thanks for any help!
Sidney Ramos
LQTC-DQF-CCEN-UFPE
*****************************************
**** OUTPUT FROM DALTON SHELL SCRIPT ****
*****************************************
Version 1.2 (00/07/21)
Invocation: /net/samba/scratch/sidney/dalton12/dalton
Fri Sep 28 19:56:55 EST 2001
Invocation: /net/samba/scratch/sidney/dalton12/dalton12 -b
/home/sidney/work_samba/dalton12/basis/ benzeno_opt benzeno_opt
Fri Sep 28 18:55:31 EST 2001
Calculation: benzeno_opt_benzeno_opt (input files: benzeno_opt.dal
and benzeno_opt.mol)
PID : 25136
Nodes : 1
Input dir : /scratch/sidney/Local_dense/Spin_Spin/Benzeno_X
Scratch dir: /scratch/sidney/benzeno_opt
read sue: [25] Inappropriate ioctl for device
logical unit 9, named 'AOTWOINT'
lately: reading sequential unformatted external IO
Abort - core dumped
**DALTON INPUT
.RUN PROPERTIES
**WAVE FUNCTION
.HF
**PROPERTIES
.SHIELD
.SPIN-S
*END OF INPUT
BASIS
AhlrichsVTZ
NMR parameters - Geom. Optzed MP2/6-311G**
12345678901234567890123456789012345678901234567890
12 1
6. 1
C1 1.254347 -0.619783 0.000044
6. 1
C2 0.090422 -1.396169 -0.000134
6. 1
C3 -1.163923 -0.776397 0.000142
6. 1
C4 -1.254348 0.619783 -0.000182
6. 1
C5 -0.090421 1.396170 0.000097
6. 1
C6 1.163923 0.776396 -0.000064
1. 1
H7 2.228535 -1.101123 0.000024
1. 1
H8 0.160648 -2.480513 0.000145
1. 1
H9 -2.067887 -1.379373 0.000078
1. 1
H10 -2.228539 1.101123 0.000195
1. 1
H11 -0.160647 2.480516 -0.000043
1. 1
H12 2.067888 1.379371 0.000179