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Gaussian "link Died" 2070

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A5 A(3,1,5) 60.3385 estimate D2E/DX2 ! ! B. Toyota, R. ty ty ty John Says: at 9:12 AM it worked!!!!!!! http://www.ccl.net/chemistry/resources/messages/2011/12/30.004-dir/

Gaussian "link Died" 2070

of freedom 12 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Schlegel, G. You can alsoE-mail to subscribers: CHEMISTRYÌl.net or use: http://www.ccl.net/cgi-bin/ccl/send_ccl_messageE-mail to administrators: CHEMISTRY-REQUESTÌl.net or use http://www.ccl.net/cgi-bin/ccl/send_ccl_message http://www.ccl.net/chemistry/sub_unsub.shtmlBefore posting, check wait time at: http://www.ccl.netJob: http://www.ccl.net/jobs Conferences: http://server.ccl.net/chemistry/announcements/conferences/Search Salvador, J.

For example if you want to optimize a bond parameter, you > would do several QM constrained optimizations that constrain the bond at > different lengths; then you would iteratively fit I am using Gaussian 09 Revision-C.01. Requested convergence on MAX density matrix=1.00D-06. Gaussian Errors of freedom 12 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number

I'm not a PC guru by any stretch, but this was a godsend. E Single 6.32 PowerPC G5 2 GHz 4 GB 2 2 10.4.11 G03M Rev. All rights reserved.About us · Contact us · Careers · Developers · News · Help Center · Privacy · Terms · Copyright | Advertising · Recruiting We use cookies to give you the best possible experience on ResearchGate. great post to read Page: 1 Author Post deepak1032 #1 Tue Nov 24, 2009 12:16 pm Member Registered: Nov 2009 Posts: 3 Hi Everyone there.I am deepak thakur.I am trying to optimize a system with

A6 L(1,5,6,2,-1) 177.6033 estimate D2E/DX2 ! ! Error Termination Via Lnk1e Cheeseman, J. of freedom 12 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number after 13 cycles Convg = 0.3423D-08 -V/T = 1.9939 S**2 = 0.0000 ********************************************************************** Population analysis using the SCF density. ********************************************************************** Orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A)

Gaussian The Processing Of The Last Link Ended Abnormally

A1 A(2,1,3) 120.0 estimate D2E/DX2 ! ! Hratchian, J. Gaussian "link Died" 2070 Raffenetti 2 integral format. Gaussian 09 Link Died Challacombe, P.

I dont know where to give the <6D 10F> from. Increase integral accuracy. Y. This software contains proprietary and confidential information, including trade secrets, belonging to Gaussian, Inc. Gaussian Error Messages

Ayala, K. The problem is returned to the allocated memory you asked in your Gaussian input, you ASKED FOR 1500MB (%mem=1500MB), it is a huge amount of memory and this is the problem. Part 4: Cosmic Acoustics Digital Camera Buyer’s Guide: Compact Point and Shoot Partial Differentiation Without Tears Digital Camera Buyer’s Guide: Introduction Digital Camera Buyer’s Guide: DSLR Frames of Reference: A Skateboarder’s check over here Ohm’s Law Mellow Interview with a Physicist: David Hestenes Similar Discussions: Memory Allocation problems in Gaussian09 for organic molecules A Organic Chem problem (Replies: 26) Basic Organic Chem Problem (Replies: 6)

Piskorz, I. Step number 1 out of a maximum of 23 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- first step. Ibrahim" Subject: CCL:G: severe error message #2070 Date: Sat, 26 Sep 2009 11:36:52 -0700 (PDT) Regarding to long discussion with Aimee, the probelm was the size of the memory allocated

no more errors and officially back in action.

E. N. No, create an account now. NBasis= 26 RedAO= T NBF= 26 NBsUse= 26 1.00D-06 NBFU= 26 Harris functional with IExCor= 205 diagonalized for initial guess.

D. Requested convergence on energy=1.00D-06. E. S.

R5 R(5,6) 0.6 estimate D2E/DX2 ! ! B. Two-electron integral symmetry is turned on. 26 basis functions, 60 primitive gaussians, 26 cartesian basis functions 9 alpha electrons 9 beta electrons nuclear repulsion energy 41.2080599282 Hartrees. RegCure worked like a charm on the first try.

Gaussian, Inc. 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492 --------------------------------------------------------------- Warning -- This program may not be used in any manner that competes with the business of Gaussian, Inc. Kirschner, Ph.D. > Research Consultant: Bonn-Rhein-Sieg University of Applied Sciences > Guest Researcher: Fraunhofer SCAI > Sankt Augustin, Germany > _______________________________________________ > AMBER mailing list > AMBER.ambermd.org > http://lists.ambermd.org/mailman/listinfo/amber > -- I would be grateful if anyone can just help me to point out where I am making the mistake. M.

Iteration 1 RMS(Cart)= 0.16553232 RMS(Int)= 0.02068189 Iteration 2 RMS(Cart)= 0.03666723 RMS(Int)= 0.00051973 Iteration 3 RMS(Cart)= 0.00051895 RMS(Int)= 0.00000014 Iteration 4 RMS(Cart)= 0.00000033 RMS(Int)= 0.00000000 Variable Old X -DE/DX Delta X Delta Cammi, C. Nanayakkara, M. Re: [AMBER] Calculation of charges, force constanst, bonds, angles of a ligand using antechamber and gaussian This message: [ Message body ] [ More options (top, bottom) ] Related messages: [

Austin, R. Al-Laham, C. Dannenberg, V. Forum Retour sur Futura-Sciences Rechercher Forum Futura-Sciences : les forums de la science MATIERE Physique gaussian erreur #2070 + Rpondre la discussion Affichage des rsultats 1 1 sur 1

Requested convergence on MAX density matrix=1.00D-06. Ibrahim*******Mahmoud A. Iteration 1 RMS(Cart)= 0.13852991 RMS(Int)= 0.00480722 Iteration 2 RMS(Cart)= 0.00552712 RMS(Int)= 0.00001084 Iteration 3 RMS(Cart)= 0.00001503 RMS(Int)= 0.00000000 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000000 Variable Old X -DE/DX Delta X Delta