From chemistry-request ":at:" server.ccl.net Mon Oct 1 09:35:13 2001 Received: from nau.ufpe.br ([150.161.200.220]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id f91DZ8530693 for ; Mon, 1 Oct 2001 09:35:13 -0400 Received: from dqfex.ufpe.br (rumba.dqf.ufpe.br [150.161.5.90]) by nau.ufpe.br (8.8.5/8.8.5) with ESMTP id KAA26682; Mon, 1 Oct 2001 10:39:23 -0300 (EST) Sender: sidney ":at:" nau.ufpe.br Message-ID: <3BB87006.398929E0(+ at +)dqfex.ufpe.br> Date: Mon, 01 Oct 2001 10:30:46 -0300 From: Sidney Ramos X-Mailer: Mozilla 4.76 [en] (X11; U; Linux 2.4.2-2 i686) X-Accept-Language: en, pt-BR MIME-Version: 1.0 To: CCL List , Dalton Users List Subject: Problems in the Solaris !?!?!? Content-Type: multipart/mixed; boundary="------------5A56D40DA450C6DDA750BF44" This is a multi-part message in MIME format. --------------5A56D40DA450C6DDA750BF44 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit 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 --------------5A56D40DA450C6DDA750BF44 Content-Type: text/plain; charset=us-ascii; name="benzeno_opt.dal" Content-Transfer-Encoding: 7bit Content-Disposition: inline; filename="benzeno_opt.dal" **DALTON INPUT .RUN PROPERTIES **WAVE FUNCTION .HF **PROPERTIES .SHIELD .SPIN-S *END OF INPUT --------------5A56D40DA450C6DDA750BF44 Content-Type: text/plain; charset=us-ascii; name="benzeno_opt.mol" Content-Transfer-Encoding: 7bit Content-Disposition: inline; filename="benzeno_opt.mol" 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 --------------5A56D40DA450C6DDA750BF44--