Ansoft 电场仿真错误求助各位大侠请教一下：建完模后，剖分的时候出现如下错误提示：Initial mesh, process mesh3d_ng: Error in solid id assignment. This could be due to : 1. Error in surface recovery in mesh generation. 2. Inverted/Inconsistent face normals of the bodies. 3. Cracked edges or holes in the surface definition of solids. 1 body is defective in this respect. It is "daoxian"在线等解答，多谢！
小艮_o迷4怳T
查到问题在哪了，是介质填充方式不正确，谢谢楼上
错误提示：模型不合格，重新做下模型，一般这个很难查处哪的毛病，建议直接重新建立模型
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R语言中source（）函数出现错误，求大神指教
cannot open file &#39:In file(filename, &quot：Error in file(filename, &h.r&quot, encoding = encoding) 编辑source函数如下;r&r&quot:
cannot open the connectionIn addition, encoding = encoding) ;：source(&h;)出现的错误如下.r&#39
缺少函数文件h.r检查一下引用文件夹中，是否确实少了这个文件。
不缺少，我在引用文件夹建立了一个TXT，然后重命名为h.r，然后在R中用source('h.r')，就出现了这样的错误。
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r&\Program Files&#92，把路径写全了再试;R\ source(&quot：&&#92:\\F。查看我刚写的已经得到正确结果;h。希望能帮到你;) [1]
8 10 12 14 16 18 20 22另外;temp&#92，注意R语言的绝对路径要用双反斜杠;&#92你查看你的工作路径是不是可以缺省
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出门在外也不愁gaussian&出错信息和可能的解决办法(转）
gaussian 出错信息和可能的解决办法(转）
Gaussian calculations can fail with various error messages. Some
error messages from .out and .log files - and possible solutions -
have been compiled here to facilitate problem solving.
These are divided into:
Convergence problems
Errors in solvent calculations
Errors in log files
ERROR MESSAGES IN OUTPUT FILES
Syntax and similar errors:
End of file in ZSymb.
Error termination via Lnk1e in /global/apps/gaussian/g03.e01/g03/l101.exe
Solution: The blank line after the coordinate
section in the .inp file is missing.
Unrecognized layer "X".
Error termination via Lnk1e in /global/apps/gaussian/g03.e01/g03/l101.exe
Solution: Error due to syntax error(s) in
coordinate section (check carefully). If error is "^M", it is
caused by DOS end-of-line characters (e.g. if coordinates were
written under Windows). Remove ^M from line ends using e.g.
emacs. To process .inp files from command line,
use sed -i 's/^M//'
File.inp&& (Important:
command does not work if ^M is written as
characters - generate ^M on command line using ctrl-V
QPERR --- A SYNTAX ERROR WAS DETECTED IN THE INPUT LINE.
Solution: Check .inp carefully for syntax
errors in keywords
Unable to locate IRWF=0 Number=
Error termination via Lnk1e in /global/apps/gaussian/g03.e01/g03/l401.exe
FileIO operation on non-existent file.
[...] Error termination in NtrErr:
NtrErr Called from FileIO.
Solution: Operation on .chk file was specified
(e.g. geom=check, opt=restart), but .chk was not found. Check
%chk= was specifed in .inp
.chk has the same name as .inp
.chk is in the same directory as .inp
run script transports .chk to temporary folder upon job start.
Run scripts downloaded here should do this.
The combination of multiplicity N and&&
M electrons is impossible.
Error termination via Lnk1e in /global/apps/gaussian/g03.e01/g03/l301.exe
Solution: Either the charge or the multiplicity
of the molecule was not specified correctly in .inp.
Memory and similar errors:
Out-of-memory error in routine RdGeom-1 (IEnd=&&&&&&
1200001 MxCore=&&&&&&&&&
Use %mem=N MW to provide the minimum amount of memory required to complete this step
Error termination via Lnk1e in /global/apps/gaussian/g03.e01/g03/l101.exe
Not enough memory to run CalDSu, short by&&&&
1000000 words.
Error termination via Lnk1e in /global/apps/gaussian/g03.e01/g03/l401.exe
[...] allocation failure:
Error termination via Lnk1e in /global/apps/gaussian/g03.e01/g03/l1502.exe
Solution: Specify more memory in .inp
(%mem=Nmb). Possibly, also increase
pvmem value in run script. Especially solvent
calculations can exhibit allocation failures and explicit amounts
of memory should be specified.
could not allocate memory.
Solution: The %mem value in
.inp is higher than pvmem value in run script.
Increase pvmem or decrease
Probably out of disk space. Write error in NtrExt1
Solution: /scratch space is most likely full.
Delete old files in temporary
Convergence problems:
Density matrix is not changing but DIIS error= 1.32D-06 CofLast= 1.18D-02.
The SCF is confused. Error termination via Lnk1e in /global/apps/gaussian/g03.e01/g03/linda-exe/l502.exel
Solution: Problem with DIIS. Turn it off
completely, e.g. using SCF=qc, or partly by using
SCF=(maxconventionalcycles=N,xqc), where N is the
number of steps DIIS should be used (see ).
Convergence criterion not met. SCF Done:
NNNNNNN&&&&
A.U. after
129 cycles
[...] Convergence failure -- run terminated. Error termination via Lnk1e in /global/apps/gaussian/g03.e01/g03/linda-exe/l502.exe
Solution: One SCF cycle has a default of
maximum 128 steps, and this was exceeded without convergence
achieved. Possible solution: In the route section of input file,
specify SCF=(MaxCycle=N), where N is the number of
steps per SCF cycles. Alternatively, turn of DIIS (e.g. by SCF=qc)
Problem with the distance matrix.
Error termination via Lnk1e in /pkg/gaussian/g03/l202.exe
Solution: Try to restart optimization from a
different input geometry.
New curvilinear step not converged. Error imposing constraints
Error termination via Lnk1e in /pkg/gaussian/g03/l103.exe
Solution: Problem with constrained coordinates
(e.g. in OPT=modredun calculation). Try to restart optimization
from a slightly different input geometry.
Optimization stopped.&&
-- Number of steps exceeded,
[..] Error termination request processed by link 9999.
Error termination via Lnk1e in /global/apps/gaussian/g03.e01/g03/l9999.exe
Solution: Maximum number of optimization steps
is twice the number of variables to be optimized. Try increasing
the value by specifying OPT=(MaxCycle=N) in .inp
file, where N is the number of optimization steps (see ). Alternatively,
try to start optimization from different geometry.
Errors in solvent
calculations:
AdVTs1: ISph= 2543 is engulfed by JSph= 2544 but Ae( 2543) is not yet zero!
Error termination via Lnk1e in /global/apps/gaussian/g03.e01/g03/l301.exe
Solution: Problem is related to building of the
cavity in solvent calculations. One possible solution is to change
the cavity model (default in g03 is UAO, can be changed by adding
RADII keyword in section below coordinates in the .inp file, e.g.
RADII=UFF, see ).
Hydrogen&&
X has 2 bounds. Keep it explicit at all point on the
potential energy surface to get meaningful results.
Solution: In UAO cavity model, spheres are
placed on groups of atoms, with hydrogens assigned to the heavy
atom, they are bound to. If assignment fails (e.g. because heavy
atom-H bond is elongated), cavity building fails. Possible
solutions: a) use cavity model that also assigns
spheres to hydrogens (e.g. RADII=UFF) or b) Assign
a sphere explicity on problematic H atom (use
SPHEREONH=N, see )
ERROR MESSAGES IN LOGFILES
=&& PBS: job killed: walltime N exceeded limit M
signal number 15 received.
Solution: Job did not finish within specified
wall time. Retrieve .out and .chk files from temporary folder
/global/work/$USER/$JOB (or $PBS_JOBID) and restart calculation if
possible (using e.g. opt=restart or
scf=restart).
cp: cannot stat $JOB.inp: No such file or directory
Solution: The .inp file is not in the directory
from where the job was submitted (or its name was misspelled during
submission. If error reads: cp: cannot stat
$JOB.inp.inp, the .inp file was submitted with
extension).
ntsnet: unable to schedule the minimum N workers
Solution: The value of %NprocLinda=N in the
.inp file is higher than the number of nodes asked for during
submission. Make sure these values match.
Connection refused [...] died without ever signing in
Sign in timed out after 0 worker connections. Did not reach minimum (N), shutting down
Solution: Error appears if you run parallel
calculations but did not add this file to your $HOME directory:
.tsnet.config containing only the line:
Tsnet.Node.lindarsharg: ssh
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&By default, Gaussian reduces the number of processors on a parallel calculation whenever there is not enough memory allocated to perform a given amount of computational work using all specified processors. For example, if one specifies:&%mem=4GB%NprocShared=4&this means that there will be about 1 GB of memory available per processor in this parallel run. If a given part of the calculation requires 2 GB of memory per processor to run in parallel, then the program will automatically reduce the number of processors to 2, in order for the calculation to continue. If one wants to use all 4 processors in such case, one would have to allocate more memory, e.g. %mem=8GB.&Convergence problems:&Density matrix is not changing but DIIS error= 1.32D-06 CofLast= 1.18D-02. The SCF is confused. Error termination via Lnk1e in /global/apps/gaussian/g03.e01/g03/linda-exe/l502.exelSolution:&Problem with DIIS. Turn it off completely, e.g. using&SCF=qc, or partly by using&SCF=(maxconventionalcycles=N,xqc), where&N&is the number of steps DIIS should be used (see&).&&Convergence criterion not met.&SCF Done:& E(RHF) =& NNNNNNN&&&& A.U. after& 129 cycles
[...] Convergence failure -- run terminated. Error termination via Lnk1e in /global/apps/gaussian/g03.e01/g03/linda-exe/l502.exeSolution:&One SCF cycle has a default of maximum 128 steps, and this was exceeded without convergence achieved. Possible solution: In the route section of input file, specify&SCF=(MaxCycle=N),&where N is the number of steps per SCF cycles. Alternatively, turn of DIIS (e.g. by SCF=qc) (see&).&&Problem with the distance matrix. Error termination via Lnk1e in /pkg/gaussian/g03/l202.exe&Solution:&Try to restart optimization from a different input geometry.&&&New curvilinear step not converged. Error imposing constraints Error termination via Lnk1e in /pkg/gaussian/g03/l103.exeSolution:&Problem with constrained coordinates (e.g. in OPT=modredun calculation). Try to restart optimization from a slightly different input geometry.&&&Optimization stopped.&& -- Number of steps exceeded,& NStep= N [..] Error termination request processed by link 9999. Error termination via Lnk1e in /global/apps/gaussian/g03.e01/g03/l9999.exe&Solution:&Maximum number of optimization steps is twice the number of variables to be optimized. Try increasing the value by specifying OPT=(MaxCycle=N) in .inp file, where&N&is the number of optimization steps&(see&). Alternatively, try to start optimization from different geometry.&&&Errors in solvent calculations:&AdVTs1: ISph= 2543 is engulfed by JSph= 2544 but Ae( 2543) is not yet zero! Error termination via Lnk1e in /global/apps/gaussian/g03.e01/g03/l301.exeSolution:&Problem is related to building of the cavity in solvent calculations. One possible solution is to&change the cavity model (default in g03 is UAO, can be changed by adding RADII keyword in section below coordinates in the .inp file, e.g. RADII=UFF, see&).&&Hydrogen&& X has 2 bounds. Keep it explicit at all point on the potential energy surface to get meaningful results.Solution:&In UAO cavity model, spheres are placed on groups of atoms, with hydrogens assigned to&the heavy atom, they are bound to. If&assignment fails (e.g.&because&heavy atom-H bond is elongated), cavity building fails. Possible solutions:&a)&use cavity model that also assigns spheres to hydrogens (e.g. RADII=UFF) or&b)&Assign a sphere explicity on problematic H atom (use&SPHEREONH=N, see&)&&&ERROR MESSAGES IN LOGFILES&&=&& PBS: job killed: walltime N exceeded limit M signal number 15 received.Solution:&Job did not finish within specified wall time. Retrieve .out and .chk files from temporary folder&/global/work/$USER/$JOB&(or&$PBS_JOBID) and restart calculation if possible (using e.g.&opt=restart or&scf=restart). &&cp: cannot stat $JOB.inp: No such file or directorySolution:&The .inp file is not in the directory from where the job was submitted (or&its name was&misspelled&during submission. If error reads:&cp: cannot stat $JOB.inp.inp, the .inp file was submitted with extension).&ntsnet: unable to schedule the minimum N workersSolution:&The value of %NprocLinda=N&in the .inp file is higher than the number of nodes asked for during submission. Make sure these values match.&&Connection refused [...] died without ever signing in Sign in timed out after 0 worker connections. Did not reach minimum (N), shutting downSolution:&Error appears if you run parallel calculations but did not add&this file to&your $HOME directory:&.tsnet.config&containing only the line:Tsnet.Node.lindarsharg: ssh&(see also&).&Document Actions
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