Table of Contents
Updated
If you cannot find the route map. Gauss error message, today’s guide should help.
Troubleshooting Steps
- Check the log file settings (
tail $ FILENAME.log) - Check most of the $ FILENAME.err and $ FILENAME.out files (
cat $ FILENAME.Your out, err) - Check your messenger for emails from XSEDE to see if there are any problems with my supercomputer (you may need to check them out a few hours ago).
- Check your great gjf and job files for obvious bugs.
- Invalid or used paths in the May file
- Invalid parameters used in gjf file
- Invalid path for parameter
% chk - Incorrect loading / rotating characteristics.
- Incorrect combinations of function parameters (
tdandopt, somewhat basic and / or possibly functional)
- Invalid path for parameter
- Try running the task again (sometimes this will correct random errors).
- If the problem persists, check all files in use ($ FILENAME.log, $ FILENAME.gjf, $ FILENAME.err, $ FILENAME.job, $ FILENAME.out) and look for anything that seems strange. …
- If everyone else fails , try restarting from (rebuild, rebuild molecule, job, etc.)
Error
Error
qsub: The submit filter returned an error code and aborted the job submission. Run task as dlwhee93Your human task will also fail Invalid project account of type 'ios103' for queue 'normal', valid accounts for subscriber 'dlwhee93': ung100 in SDSC XSEDE Gordon: all queues (STGGORD)
problem
This indicates that one of the two proposals has been fulfilled.1. Your user account does not match the specific mapping that you specified in the business file.2. All hours spent on fixing their needs in the work file have long been spent.
Fix
- Asks to be added to the assignment as usual.
- Use a different selection that hasn’t been used either.
Error
-l node = ...: ppn = : ... very necessaryqsub: filter Submit returned an error code that canceled the mission submission.
problem
Sometimes for workersIt requires ppn = 16 with node specifications (mostly only flyovers).
Fix
This problem can be solved by adding this option to the paid job file. This can be done in a text editor or with sed .
sed -many of us $ JOBFILE -e 's / nodes = 1 / nodes = 1: ppn = 16 /'
Error
which: no g09 live (/ opt / gaussian / g09: / opt / gnu / bin: / opt / gnu / gcc / bin: / opt / mvapich2 / intel / ib / bin: / opt / intel / composer_xe_2013.1.117 / bin / intel64: /usr/lib64/qt-3.3/bin: / usr / local / bin: / bin: / usr / bin: / usr / local / sbin: / usr / sbin: / sbin: / usr / java / last / bin: / opt / maui / bin: / opt / couple / bin: / opt / couple / sbin: / opt / couple / bin: / opt / couple / sbin: / state / partition1 / catalina / bin: / opt / pdsh / bin: / opt / rocks / bin: / opt / rocks / sbin: / home / servers / gordon / bin: / home / dlwhee93 / bin: / opt / maui / bin: / opt / pair / bin: / opt / couple / sbin: / opt / couple / bin: / opt / couple / sbin: / state / partition1 / catalina / bin: / home / servers / gordon / bin: / home / dlwhee93 / bin)
problem
Gaussian requires you to agree to the terms of use before using the software. Therefore, anyone associated with supercomputers should understand their terms of use. The module does not load.
Fix
You needfill out the necessary forms so that this supercomputer can actually access them. For example, here’s probably a link to a Blacklight form.
Error
% chk = C: Users research Documents My SugarSync gjfs oct_010_2.chkntrex1
problem
The % chk spec in gjf is not perfect. The path specified there must match the path on the entire supercomputer (in most cases it should only be the file name without virtual folders).
Fix
Replace % chk with the exact path (remove the C: Users ... part and remove the $ FILENAME.chk part)
Error
Postwork file receives errors; job 1590474.trestles-fe1.sdsc.edu to the main overpasses-9-10 / 15 + overpasses-9-10 / 14 + overpasses-9-10 / 13 + overpasses-9-10 / 12 + overpasses-9-10 / 11 + Bok-9-10 / 10 + Bok-9-10 / 9 + Bok-9-10 / 8 + Bok-9-10 / 7 + Bok-9-10 / 6 + Bok-9-10 / 5 + Goats-9-10 / 4 + Goats-9-10 / 3 + Goats-9-10 / 2 + Goats-9-10 / 1 + Goats-9-10 / 0 Unknown resource of a wide range REJHOST = Goats-9-10 ... local MSG = invalid home directory '/ home / ccollins' specified errno = 2, (no such file or no such directory)
problem
This usually happens when the superk is malfunctioning.computer. In this particular case, there was a file system crash on Trestles where an email was sent within a few hours during XSEDE indicating there was a problem.
This issue can also be caused by an incorrect placement file.
Fix
Please wait to see if XSEDE sends an email stating that the supercomputer has been repaired. Or, if this is an additional problem, check and make sure that many of the paths / filenames in the commercial file are correct.
Error
galloc: Failed to allocate memory.
problem
The supercomputer was unable to allocate memory for the current job.
Fix
There are two possible solutions to this problem:1. Try repeating the process again (you may need to do this several times). It seems that sometimes supercomputers literally fail to allocate memory. This disease can appear accidentally.2. Try decreasing % mem to a smaller number in each of our gjf files.
Error
problem
Commonbut this means that there was an error in the task before launching Gaussian. To get an accurate answer to the problem, you must inform your email program about the job, the $ FILENAME.err file, and the $ FILENAME.out
Fix
The fixes that cause these issues are respectively dependent on the content of your email, the $ FILENAME.err file, or the specific $ FILENAME.out file to view this file.
Error
Interrupted by PBS ServerQuest exceeded, there is a time limit on the wall. Job canceledContact your administrator for help
Initial convergence to 1.0D-05 has been achieved. Improve the precision of your keys.
Full precision reduced to many 1.0D-05 iterations.
Call FoFJK, ICntrl = FMM = T 2127 ISym2X = 0 I1Cent = 0 IOpClX = 0 NMat = 1 NMatS = 1 NMatT = 0.
No special actions for increasing energy.
problem
these messages indicate that the computation is aborted ya element (for example, reaching the wall time). You will find that all of these generated "errors" can be seen in the middle log file. This means that the calculation was interrupted during execution.
This can usually be done by checking your email address for the walltime error message.
correct
Move the limited log files to your computer and load them into Gaussian while supercomputering. Then register new gjfs from there and submit them to the supercomputer often.
Error
End of error via Lnk1e in /opt/gaussian/g09/l401.exe
problem
If you create gjf files on Windows, it is possible that Windows will pin the Windows endings instead of all the Unix / Linux needed ones. This is usually a problem of agreement between the two operating systems. You will see if this is really a problem when you open one of the gjf files in vim on a supercomputer. If the lines end with ^ M , in which case you have this problem.
Fix
dos2unix $ FILENAME
Error
ends under file in ZSymb.Completion error via Lnk1e last /home/diag/opt/gaussian/g09/l101.exe
problem
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Gaussian requires all gjf record data to end with a single blank line, which was by design for some reason. If the condition is not met, such an error is returned to the log file.
Fix
Error
The route map was no longer found.Completion error via Lnk1e in /usr/local/Dist/g09/l1.exe on Dec 19 17:38:29 2013.
problem
The Gaussian that every job file needs has an info line for the route map (line with #). If the string does not exist, an error is returned.
Fix
Error
Interrupt request error on ref 9999 rejected.Completion error via Lnk1e relative to /global/apps/gaussian/g03.e01/g03/l9999.exe
Problem
In Gaussian execution, there are two combinations of ways in which a job can take too long. The first a is undoubtedly the wall time, the second is the moment when the Gaussian function reaches a part of the maximum number of iterations. This is the last special case.
Fix
As with a Walltime crash, you typically move incomplete log files from the supercomputer directly to your computer and filter them with Gaussian. Then from there help create new gjfs and re-submit them to the supercomputer.
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경로 지도 솔루션을 찾을 수 없습니다. 가우스 오차
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