Gaussian 03 Error Messages
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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 gaussian 09 error termination in ntrerr ntrerr called from fileio but NVar= XX while NDOF= YY 12 Unable to project read-in occupied orbitals. 13
Error Message 2070 Gaussian
KLT.ge.NIJTC in GetRSB 14 Symbol XXX not found in Z-matrix 15 Variable X has invalid number of steps. 16 Problem with the gaussian maxcycle distance matrix. 17 End of file in ZSymb 18 Linear search 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
L103.exe Error In Gaussian
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 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= error in internal coordinate system 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 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
job there should be a simple error in your input file. 2070 simply means an error, this
Gaussian Geom
is not a code for a particular error. The real error
Housian Error
is written "and explained a bit" in your log/output file.Check that file to see what is scf=noincfock the real source of error. Without the log/output file and/or input file nobody can tell you what is the exact error.Good luck,Cina Foroutan-Nejad, Ph. D.http://independent.academia.edu/CinaForoutanNejad From: https://www.ace-net.ca/wiki/Gaussian_Error_Messages "Stephen W Holman stephen.holman-,-manchester.ac.uk"
http://www.ccl.net/spammers.txtRTFI: http://www.ccl.net/chemistry/aboutccl/instructions/
manual refers to the first printing of the Gaussian 03 User's Reference; the second edition of this book has these changes incorporated. List of Topics New Features in Revision E.01 Additional Platform Support Functional Differences in http://www.gaussian.com/g_misc/g03/g03_rel.htm Revision E.01 Bugs Fixed in Revision E.01 Updated Manual Documentation New and Updated References https://www.researchgate.net/post/Gaussian_03w_error_messages2 Gaussian 03 Revision History Changes in Revision D.01 Bugs Fixed in Revision D.01 Changes in Revision C.01 Changes in Revision B.05 Changes in Revision B.04 Bugs Fixed in Revisions C.01 and C.02 Bugs Fixed in Revision B.05 Bugs Fixed in Revision B.04 Bugs Fixed in Revision B.03 New Features in Rev E.01 New keywords for error message generating hyperfine tensors: Output=SpinRotation (synonym for NMR Output=Pickett), Output=RotationalConstants (synonym for Freq=VibRot Output=Pickett), and Output=QuarticCentrifugal (synonym for Freq=(VibRot,Anharm) Output=Pickett) Freq and NMR can now both be on the same route for HF and DFT (not for MP2). Improvements in work allocation for shared-memory parallelism in MP2 and the triples part of MP4/CCSD(T). The M05 and M05-2X functionals have been added. New Platforms Supported in Rev E.01 IA32 and EM64T running gaussian 03 error Mac OS X 10.4.9 through 10.4.11, and 10.5.6 and later releases. Binaries are available and the standard Unix source distribution builds on these systems. Note that compiling from source code requires the use of a case-sensitive file system such as case-sensitive HFS+ or UFS (note that the default file system is case-insensitive HFS+). A case sensitive file system is not required to run the program, only to build it. To build on IA32-based systems (i.e., 32-bit Intel Macs), you must use the command bsd/bldg03 all mac32 rather than just bsd/bldg03. AMD Opteron-based systems running Solaris 10. There are now separate binaries for Intel EM64T/Linux, distinct from AMD Opteron/Linux, and Atlas libraries optimized for EM64T are provided for building from source. Users should be certain to request and install the correct binary for their hardware in order to achieve maximal performance. The command cat /proc/cpuinfo will indicate the hardware architecture of the system. Functional Differences in Rev E.01 The keyword "3-21G**" was previously accepted as a basis set. This basis was never defined in the literature, and the keyword put polarization functions on H and second-row atoms but not on first-row atoms, which is not a useful combination. Now this keyword generates an error message. If polarizat
submit another calculation now in B3LYP 6-31/G(d,p) and shown another two error messages:error #2070 all processing of the last link ended abnormally, all process has been abortederror #2061 can’t lock the block memory for the list job. Can you help me with this problems? Topics Gaussian (Software) × 767 Questions 305 Followers Follow Gaussian × 887 Questions 300 Followers Follow Apr 22, 2015 Share Facebook Twitter LinkedIn Google+ 0 / 0 All Answers (5) Fernando Vallejos-Burgos · Shinshu University How much memory are you trying to allocate? Are you using a 32-bit version of Gaussian? 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, 2015 Duy Quang Dao · Duy Tan University This may be useful for you Best regards, http://www.acceleratediscovery.ca/wiki/Gaussian_Error_Messages#FOPT_requested_but_NVar.3D_XX_while_NDOF.3D_YY Apr 23, 2015 Bartosz Trzaskowski · University of Warsaw Gaussian 03w is a 32-bit code and the maximum memory that it can theoretically allocate is 2 GB (no matter how large is your machine's memory). It means that the calculation with "%mem=1000MB" should work fine unless: - the jobs requires more than 1Gb of memory to complete. In that case you should get a warning like: "Out-of-memory error in routine ... Use %mem=xxMW to provide the minimum amount of memory required to complete this step." - the system can't allocate 1Gb for Gaussian, since less free memory is avalable. If you have a machine with 2Gb/4Gb on board and are running Windows + some other programs, they may use a lot of memory. At the time of this writing I have the Opera browser open (8 tabs) + 2 sessions of SSH (putty) + Maestro GUI + 2 sessions of Total Commander on Win7 and it's using 3Gb of RAM (out of 8). In that case You have to free up some memory by shutting down other programs and/or adding RAM tou your machine. Apr 24, 2015 Massimiliano Arca · Università degli studi di Cagliari Look at you output file and take note of the number of