[Wien] crash and restart in min_lapw
P. Ganesh
pganesh at ciw.edu
Sun Jan 4 20:57:07 CET 2009
Dear All,
Wish you all a very Happy New Year.
I am performing structural optimization using the program "min_lapw"
which for a given lattice geometry minimizes the forces by moving the
ionic positions. I am performing this calculation in a parallel
environment. After a few iterations (say at iteration 4 of min
routine), the program crashes while performing lapw2. I would like to
know why it crashed? The "lapw2.error" has the following entry:
Error in LAPW2
** testerror: Error in Parallel LAPW2
The "job.err" file has last few lines as:
.......
LAPW1 END
forrtl: severe (24): end-of-file during read, unit 30, file
/home/pganesh/WIEN2k/BSCCO/Vol-1%/BSCCO/BSCCO.energy_9
Image PC Routine Line Source
lapw2 000000000089685B Unknown Unknown Unknown
lapw2 0000000000894D3A Unknown Unknown Unknown
lapw2 000000000086A5B8 Unknown Unknown Unknown
lapw2 000000000083A070 Unknown Unknown Unknown
lapw2 0000000000839CC0 Unknown Unknown Unknown
lapw2 0000000000852312 Unknown Unknown Unknown
lapw2 00000000004258A6 fermi_ 60
fermi_tmp_.F
lapw2 00000000004528FE MAIN__ 258
lapw2_tmp_.F
lapw2 000000000040996A Unknown Unknown Unknown
libc.so.6 00000035FA61C4BB Unknown Unknown Unknown
lapw2 00000000004098AA Unknown Unknown Unknown
cp: cannot stat `.in.tmp': No such file or directory
rm: cannot remove `.in.tmp': No such file or directory
rm: cannot remove `.in.tmp1': No such file or directory
The last line of "BSCCO.energy_9" is incomplete I see. Apparently, it
looks like the file was being read before it has been written
completely. But I am not sure what is going on.
Now that the job has crashed after performing several iterations, I
would like to continue it from where it stopped. Performing "min_lapw
-NI -p" should do this I suppose?
Thanks for your suggestions.
Ganesh
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