Error 9999 Gaussian
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of range 7 End of file in GetChg 8 Change in point group or standard orientation 9 Unrecognized atomic symbol 10 Convergence failure -- run terminated 11 FOPT requested but NVar= XX while NDOF= YY 12 Unable gaussian maxcycle to project read-in occupied orbitals. 13 KLT.ge.NIJTC in GetRSB 14 Symbol XXX not found in error in internal coordinate system Z-matrix 15 Variable X has invalid number of steps. 16 Problem with the distance matrix. 17 End of file in ZSymb 18 Linear search l103.exe error in gaussian skipped for unknown reason 19 Variable index of 3000 on card XXX is out of range, NVar=XX 20 Unknown center XXX 21 Determination of dummy atom variables in z-matrix conversion failed 22 malloc failed 23 Charge and multiplicity card
Error Message 2070 Gaussian
seems defective: 24 Attempt to redefine unrecognized symbol "XXXXX" 25 Inconsistency #2 in MakNEB 26 galloc: could not allocate memory Normal Termination of Gaussian XX Normally Gaussian will terminate with a line such as Job cpu time: 0 days 6 hours 57 minutes 42.2 seconds. File lengths (MBytes): RWF= 4743 Int= 0 D2E= 0 Chk= 9 Scr= 1 Normal termination of Gaussian 98. If a job fails without producing an error message (but with a normal looking output), it gaussian errors usually means that the job exceeded the allocated time (h_rt=HH:MM:SS) or, more rarely, that your disk quota has been exceeded. Erroneous Write Description of Error Near the end of the output, it reads something similar to Erroneous write. write 122880 instead of 4239360. fd = 3 Erroneous write. write 122880 instead of 4239360. fd = 3 writwa writwa: File exists or Erroneous write. write -1 instead of 3648000. fd = 4 writwa writwa: No space left on device or Erroneous write during file extend. write -1 instead of 8192 Probably out of disk space. Write error in NtrExt1 Explanation of Error Typically, this occurs when you have run out of disk space. This could potentially occur if the disk is physically full, or if you have exceeded your quota, or (more rarely) a network drive is unavailable because of a communications disruption. Fixing the Error Check your disk quota (quota) and disk space (df -k, du -sk). Delete unnecessary files, or Your job may simply be too big to run on current hardware. Try using a smaller basis set. Link 9999 Description of Error At the end of your output, you get lines such as Error termination request processed by link 9999. Error termination via Lnk1e in /disc30/g98/l9999.exe. A few pages above, you get a line such as Maximum Force 0.020301 0.000450 NO RMS Force 0.007068 0.000300 NO Maximum Displacement 0.078972 0.001800 NO RM
Silva, I use similar input in many cases - it works very well. I can explain gaussian scf=qc my choice: gdiis - very good optimisation method noeigen
Geom=allcheck
- if you have bad starting point for TS search, possible you will get more
Gaussian Error Analysis
than one imaginary freq. Hence, the job will be aborted without keyword noeigen. Be carefull! xqc - it solves problem with bad SCF https://www.ace-net.ca/wiki/Gaussian_Error_Messages convergence. Sincerely, Ol Ga PS: I advice you to find in internet Gaussain 03 Manual. ***************************** Hello Eurisco. you can detail the commands? - gdiis - noeigen - xqc THANKs 2009/8/31 Ol Ga eurisco1]*[pochta.ru
2.2. Sedikit tentang teorioptimasi 2.3. Optimasi minimum dan strukturtransisi 2.4. Perhitungan frekuensi Publication 2010 Home > Gaussian > Gaussian error messages Gaussian error messages July 8, 2007 superbeton Leave a comment Go to comments Here, I will put continuously the error messages of Gaussian program and https://superbeton.wordpress.com/2007/07/08/gaussian-error-messages/ its solution. I collect all these from the internet, mailing list, and also my experiences when I use Gaussian. Physical-related error: 1. Estimate disk for full transformation -677255533 words. Semi-Direct transformation. Bad length for file. You can set the MaxDisk keyword (http://www.gaussian.com/g_ur/k_maxdisk.htm) or you can split the RWF file using %RWF=loc1,size1,loc2,size2, … 1 word means 8 bytes. 2. Error due to memory usage: IMax=3 JMax=2 DiffMx= 0.00D+00 Unable to allocate space error in to process matrices in G2DrvN: NAtomX= 58 NBasis= 762 NBas6D= 762 MDV1= 6291106 MinMem= 105955841. It shows that Gaussian has 6 MW free memory but the computational requres 106 MW. Put the higher value of memory (at least 106 MW (848 MBytes)) in the input file of ‘mem'. Convergence error: 1. Error termination request processed by link 9999. Error termination via Lnk1e in /usr/local/intel/g03/l9999.exe at Thu = Jun 1 16:23:59 2006. Job error 9999 gaussian cpu time: 0 days 5 hours 22 minutes 24.2 seconds. There are many reasons caused by this error. Usually, this error shows that the iteration is not convergence. First, check the maximum iteration number, if it is exceed the number, means the iteration is not yet finish. You can repeat the iteration from the latest geometry with keyword Geom=check and add maxcyc=100 for example. 2. … Annihilation of the first spin contaminant:. S**2 before annihilation 1.0036, after 0.0288. This caused by incorrect spin calculation. Also there are many reasons for this one. First, check the mehtod that you used whether you use restricted or unresctricted method. In my experince, this problem is usually occured when I used ‘small' method, for example HF for relatively complex system. Second, it can be happen due to very bad input geometry. It will create worse initial guess and cause this problem. 3. … Error termination in NtrErr: NtrErr Called from FileIO. Common error of the calculation when it exceed the maximum limit of the ‘maxcyc'. Continue the iteration by Geom=check or change the structure to get better initial guess. Input file error 1. QPERR -- A SYNTAX ERROR WAS DETECTED IN THE INPUT LINE. Please check the input file because there is an error on it. Usual