A VERY POOR TESSELATION HAS BEEN CHOSEN

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zhangyujin
Posts: 34
Joined: 15 Jun 2014, 08:58
First name(s): zhang
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Affiliation: Qilu University of Technology
Country: China

A VERY POOR TESSELATION HAS BEEN CHOSEN

Post by zhangyujin » 25 Jan 2015, 10:36

Hi, everyone. I came across the problem " ** WARNING ** A VERY POOR TESSELATION HAS BEEN CHOSEN" when runing a TPA calculation with PCM molde. The system concludes Zn, cl, C, H, O, N, so I chose lanl2dz for Zn and Br, while 6-31G* for other light atoms. Iwonder dose this problom about TESSELATION is caused by the molecule or the solvent ? Does anyone has any suggestions? Thanks a lot.

The error message:

1: Directories for basis set searches:
/home/zhangyj/globle/anhui/201501/zncl2/tpa:/home/software/DALTON-2013.3/build/basis
[node51:28357] *** Process received signal ***
[node51:28357] Signal: Bus error (7)
[node51:28357] Signal code: (2)
[node51:28357] Failing at address: 0xe20060
--------------------------------------------------------------------------
mpiexec noticed that process rank 0 with PID 28357 on node node51 exited on signal 7 (Bus error).
--------------------------------------------------------------------------
Error in /home/software/openmpi-1.4.4-Intel/bin/mpiexec -np 2 /home/software/DALTON-2013.3/build/dalton.x, exit code 135
zncl2.tar.gz has been copied to /home/zhangyj/globle/anhui/201501/zncl2/tpa
----------------------------------------------------------
WARNING for ERROR (Dalton program stopped with exit code 135)
- THEREFORE scratch directory /tmp/4075.node00/DALTON_scratch_zhangyj/zncl2_28319 is not deleted
by this script so you may restart the calculation, if possible
( /tmp/4075.node00/DALTON_scratch_zhangyj/zncl2_28319 may be deleted by your queueing system )
- REMEMBER to delete /tmp/4075.node00/DALTON_scratch_zhangyj/zncl2_28319 yourself !!!

----------------------------------------------------------
26 WARNINGS have been issued by Dalton,
output from 'grep -n -i WARNING' (max 10 warnings):
979: ** WARNING ** A VERY POOR TESSELATION HAS BEEN CHOSEN
982: ** WARNING ** A VERY POOR TESSELATION HAS BEEN CHOSEN
985: ** WARNING ** A VERY POOR TESSELATION HAS BEEN CHOSEN
988: ** WARNING ** A VERY POOR TESSELATION HAS BEEN CHOSEN
991: ** WARNING ** A VERY POOR TESSELATION HAS BEEN CHOSEN
994: ** WARNING ** A VERY POOR TESSELATION HAS BEEN CHOSEN
997: ** WARNING ** A VERY POOR TESSELATION HAS BEEN CHOSEN
1000: ** WARNING ** A VERY POOR TESSELATION HAS BEEN CHOSEN
1004: ** WARNING ** A VERY POOR TESSELATION HAS BEEN CHOSEN
1007: ** WARNING ** A VERY POOR TESSELATION HAS BEEN CHOSEN
----------------------------------------------------------
1 informational messages have been issued by Dalton,
output from 'grep -n INFO' (max 10 lines):
1303: INFORMATION: Switched to "new" integral transformation (from 1988 ;-) )
Attachments
zncl2.dal
(805 Bytes) Downloaded 253 times
zncl2.mol
(3.95 KiB) Downloaded 244 times
zncl2.out
(132.25 KiB) Downloaded 222 times

arnfinn
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Location: UiT The Arctic University of Norway

Re: A VERY POOR TESSELATION HAS BEEN CHOSEN

Post by arnfinn » 25 Jan 2015, 12:27

These warnings have (most probably) nothing to do with the error message, but are very common if the system gets a little larger than H2. You can look at the cavity by open the gv.off file (which you will find in the tar.gz file or in the scratch directory) with geomview. I have attached a screen shot of the cavity created by your calculation. IMO, it looks fine.

I can try to run your calculation to see if I get an error as well.
Attachments
Screen Shot 2015-01-25 at 12.20.11.png
(71.82 KiB) Not downloaded yet

zhangyujin
Posts: 34
Joined: 15 Jun 2014, 08:58
First name(s): zhang
Middle name(s): yu
Last name(s): jin
Affiliation: Qilu University of Technology
Country: China

Re: A VERY POOR TESSELATION HAS BEEN CHOSEN

Post by zhangyujin » 06 Feb 2015, 15:22

Does the problem appears on your server as well ? I wonder this error is caused by the input files or the server we used. Thank u.

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