Gaussian03 Error
Contents |
of range 7 End of file in GetChg 8 Change in point group or standard orientation 9 Unrecognized error termination in ntrerr: ntrerr called from fileio. atomic symbol 10 Convergence failure -- run terminated 11 FOPT requested but
L103.exe Error In Gaussian
NVar= XX while NDOF= YY 12 Unable to project read-in occupied orbitals. 13 KLT.ge.NIJTC in GetRSB 14 Symbol error in internal coordinate system XXX not found in 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 skipped for
Gaussian Maxcycle
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 seems defective: 24 Attempt to redefine unrecognized symbol "XXXXX" 25 Inconsistency #2 in MakNEB 26 galloc: could not allocate memory 27 No such gaussian errors file or directory 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 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
called from FIOCnC? I am trying to optimizing the 24 atoms file by using the Gaussian 03, but I am getting this error in mp2 method "Error
Housian Error
termination in NtrErr: NtrErr called from FIOCnC"my input file path is. %mem=1GB#
Gaussian Error 2070
mp2/6-311++g(d,p) opt=(maxcycle=2048)freq scf=(qc,maxcycle=2048) maxdisk=100gb Can anyone explain what is wrong? Topics Atoms × 307 Questions 102 Followers Follow Gaussian fileio operation on non-existent file. × 887 Questions 300 Followers Follow PLS × 335 Questions 172 Followers Follow MEMS × Topic pending review Follow Filing × Topic pending review Follow Jul 19, 2014 Share Facebook https://www.ace-net.ca/wiki/Gaussian_Error_Messages Twitter LinkedIn Google+ 0 / 0 All Answers (5) Tam Mai · Institute for Computational Science and Technology, Ho Chi Minh City Hi, You can see the discussion about your problem at https://www.researchgate.net/post/DFT_computes_but_MP2_gives_error2 Jul 21, 2014 Attada Yerrayya · Indian Institute of Technology Madras I had the same problem, I need to do my DFT calculations with cbs-qb3. I had no problems https://www.researchgate.net/post/Error_termination_in_NtrErr_NtrErr_called_from_FIOCnC2 while I was calculating the same molecule at B3LYP/6-31G* . But at cbs-qb3 level i got some errors. can anyone help the end of the file it is showing like this Error termination via Lnk1e in /sware/g09/l502.exe May 1, 2016 Csongor Matyas · Memorial University of Newfoundland I don't think this is a memory problem, since I'm trying to get the energy of a single oxigen atom with uhf and it fails with the same error message. Jun 23, 2016 Csongor Matyas · Memorial University of Newfoundland As Tam Mai-s link says (Ace-Net): "This typically happens when you try to retrieve something from the checkpoint file (Opt=ReadFC or guess=read or geom=allcheck/modify) that is not there, either because you did not calculate it previously, or you ran out of disk space/time in the middle of a job and the information needed wasn't written to the checkpoint file. " So yes it could be the space but I also found the answer for my problem. Jun 23, 2016 Can you help by adding an answer? Add your answer Question followers (8) Ravinder Suresh Konda T
LearningModern CodeNetworkingOpen SourceStorageToolsDeveloper TypeEmbedded SystemsGame DevMediaTechnical, Enterprise, HPCWebOSAll ToolsAndroid*HTML5Linux*OS X*Windows*ResourcesCode SamplesContact SupportDocumentationFree SoftwareIntel Registration CenterProduct ForumsSDKsResourcesPartner with IntelAcademic ProgramPartner SpotlightBlack Belt DeveloperDeveloper MeshInnovator ProgramSuccess StoriesLearnBlogBusiness TipsEventsVideosSupportContact SupportDeveloper EvangelistsFAQsForums Search form Search You are hereHome › Forums › Intel® Software Development Products › Intel® Fortran Compiler for https://software.intel.com/en-us/forums/intel-fortran-compiler-for-linux-and-mac-os-x/topic/268676 Linux* and Mac OS X* FacebookLinkedInTwitterDiggDeliciousGoogle Plus Inter Fortan compiler error for Gaussian03 D Inter Fortan compiler error for Gaussian03 D wenxinzy Mon, 04/30/2007 - 12:50 I am trying to compile the Gaussian03 D on 64bit Xeon processor.I have compiled successfully without the option of "-parallel". However when I add this option for generate multi-threaded code, error ocured for l607.F compiling. the detail as follow: fortcom: error in Severe: **Internal compiler error: internal abort** Please report this error along with the circumstances in which it occurred in a Software Problem Report. Note: File and line given may not be explicit cause of this error.in file naoanl.f, line 322, column 22 Such error happen when I used compiler of the version of 9.1.040. While when I changed to the newest one, the version of 9.1.045, the error termination in error didn't be solved.
I don't know whether it is just an error for intel fortan compiler itself or there are something errors in the l607.F Is there anyone who came up against this error, and howdo I deal with it? thank a lot~! RSS Top 7 posts / 0 new Last post For more complete information about compiler optimizations, see our Optimization Notice. Tim P. Mon, 04/30/2007 - 17:32 In principle, any such internal error is a compiler bug, and you should file a problem report on premier.intel.com. I haven't heard of anyone trying to use auto-parallel on Gaussian; I thought it would come with instructions on how to parallelize, if that is intended to be supported. Top wenxinzy Mon, 04/30/2007 - 20:27 Thanks for your help.Iwill repot this problem on premier.intel.com firt While I have already successfully compiled onan ia32 machineusingauto-parallel, and it looks like working well. On an em64t machine,auto-paralle works well until subroutine "naoanl" in l607.F. HenceI wonder if I can just make some change in l607.F, orare there any other ways to solve this problem withoutaltering compiler. Top joseph-krahn Tue, 05/08/2007 - 08:37 I just finished compiling G03.D on an ia64