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Gaussian 03 Error Message 2070


If yes, then you can proceed to more specialized books in quantum chemistry and solid state physics. Klene, X. fd = 4 writwa writwa: No space left on device or Erroneous write during file extend. Error termination via Lnk1e in /disc30/g98/l103.exe. his comment is here

Log in with Facebook Log in with Twitter Your name or email address: Do you already have an account? Apr 22, 2015 Ana Sene · Universidade Estadual de Maringá I already tried allocate 1000MB of memory and also omit the memory Yes, it is the 32 -bit version Apr 22, Variable Value No. Error termination via Lnk1e in /disc30/g98/l202.exe.

Error 2070 Gaussian 09

This happens, for example, if you set GAUSS_SCRDIR to a directory that doesn't exist. The most used functional, B3LYP which is quite good for reaction energies, is rather infamous for not reproducing vdW interactions at all. (the molecules just don't bind) The PW91 functional (Perdew-Wang) Assuming of course that we're talking electrical here, do you mean polarization or polarizability? If the title line is forgotten when using geom=modify, then it interprets the charge multiplicity line (in the above example, "-2 1") as the title, and then tries to interpret the

or will provide assistance to any competitor of Gaussian, Inc. Iyengar, J. The only way I found is to just position (say H2 molecule to be adsorbed) near the other molecule (or substrate) and find out the changes. Gaussian Error Messages Trucks, H.

No special actions if energy rises. Step number 5 out of a maximum of 23 All quantities printed in internal units (Hartrees-Bohrs-Radians) Update second derivatives using D2CorX and points 3 4 5 The second derivative matrix: R1 fd = 3 Erroneous write. https://www.researchgate.net/post/Gaussian_03w_error_messages2 Fixing the Error Don't use CEP-121G*, use CEP-121G for the elements in question (it is the same as CEP-121G for many elements) Symbol XXX not found in Z-matrix Description of Error

Pople, Gaussian, Inc., Wallingford CT, 2004. ****************************************** Gaussian 03: IA32W-G03RevD.01 13-Oct-2005 25-Sep-2009 ****************************************** %mem=1500MB %chk=C:\G03W\RAE\CON_A5a\thiophene.chk --------------------------- # opt am1 geom=connectivity --------------------------- 1/14=-1,18=50,26=3,38=1,57=2/1,3; 2/9=110,17=6,18=5,40=1/2; 3/5=2,11=9,12=1,16=1,25=1,30=1/1; Gaussian Errors Fixing the Error The value for%MEM should be at least 1GB less than the value specified in the job submission script. In this case one can either formulate a better z-matrix or use the default redundant internal coordinates. R5 R(5,6) 0.6 estimate D2E/DX2 ! !

Gaussian "link Died" 2070

Jaramillo, R. Visit Website Job cpu time: 0 days 0 hours 0 minutes 0.5 seconds. Error 2070 Gaussian 09 A1 A(2,1,3) 120.0 estimate D2E/DX2 ! ! Gaussian The Processing Of The Last Link Ended Abnormally Bakken, C.

Yazyev, A. this content Peng, A. Sign up today to join our community of over 11+ million scientific professionals. Error termination via Lnk1e in /disc30/g98/l502.exe. Gaussian 09 Link Died

Ortiz, Q. The licensee of this program is prohibited from giving any competitor of Gaussian, Inc. Nakai, M. http://meditationpc.com/error-message/general-error-message.php Piskorz, I.

Ayala, K. Error Termination Via Lnk1e Ishida, T. Pomelli, J.

Honda, O.

Raffenetti 2 integral format. No special actions if energy rises. In some cases, a poor geometry can result in an unconverged SCF, if a bond is way too long or too short. Conclusion is that in my molecules I can calculate everything from H to Kr (if I change main atom).

Are any of this reliable and free? Gill, B. Determination of dummy atom variables in z-matrix conversion failed Description of Error At the end of your output, you get lines such as Error termination request processed by link 9999. check over here R2 R(1,3) 1.07 estimate D2E/DX2 ! !

GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -2.565079 0.249042 0.000010 2 8 0 -1.306679 0.249042 -0.000003 3 1 0 Can anyone help me with Gaussian software? I used to work in this field 10 years ago. Ehara, K.

Most likely, you have two blank lines instead of one between the z-matrix and the variables. Zakrzewski, S. Li, J. I am using Gaussian 03W.

Increase integral accuracy. Raffenetti 2 integral format. Liashenko, P. This can also happen in a link job if a previous step uses default coordinates (which wipes the z-matrix) and then you try to modify the z-matrix with geom=modify.

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 Inconsistency #2 in MakNEB At the end of your output, you get lines such as Standard basis: 3-21G (6D, 7F) Inconsistency #2 in MakNEB. Rajini, Nov 7, 2010 Jan 27, 2011 #20 Kukhun deepak1032 said: ↑ After a break I am back again. SCF Done: E(RS-VWN) = -114.960563216 A.U.

N. Fixing the Error You will need to check variables and the z-matrix of the atoms in question to make sure there are no atoms closed together. Requested convergence on energy=1.00D-06. Fixing the Error Either type the correct symbol, or add it to the z-matrix, as required.

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