Parsing error in CFG file

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1

Hello Everyone,

I’m just generated Dump file (CFG format) while my simulation running.

While observing all my dump files using Ovito (visualization tool), i just found an error in one my Dump file as

"Parsing error in line 14156 of CFG file.

Data line in input file contains not enough items.

Expected 3 data columns but found only 1."

Does it mean my atoms are missing?

Thanks in advance,

Ashok Kumar Bevara

2

Have you looked at line 14156?

Oleg

Ashok Kumar Bevara <bevaraa@…24…> 28 октября 2014 г. 21:38:02 написал:

3

Mr.Oleg and all,

Yes i did check with that line
it simply showing

C
0.246497 0.489639 0.15961
1.007940
C
0.244052 0.488849 0.165042

1.007^@^@^@^@^@^@^@^@(this is 14156 line)
.
.
.
.
^@^@^@^@^@@^@^@^@^@^63593 0.46102
12.010700
C
0.254752 0.469023 0.454152
1.007940
C
0.274723 0.449342 0.455213
12.010700

So, May I know what to do exactly?

Thanks,

Ashok Kumar Bevara

4

Mr.Oleg and all,

Yes i did check with that line
it simply showing

C
0.246497 0.489639 0.15961
1.007940
C
0.244052 0.488849 0.165042
1.007^@^@^@^@^@^@^@^@(this is 14156 line)
.
.
.
.
^@^@^@^@^@@^@^@^@^@^63593 0.46102
12.010700
C
0.254752 0.469023 0.454152
1.007940
C
0.274723 0.449342 0.455213
12.010700

So, May I know what to do exactly?

is this on a local disk or on a cluster?

if it is on a local disk, make a backup and get a new disk ASAP.
if it is on a cluster, you may have a broken disk there as well, or
you have been running two calculations in the same directory at that
same directory.

in any case, that file is corrupted and thus useless.

axel.

5

Dr. Axel,

I’m running my jobs on cluster.

I didnt run running two calculations in the same directory at the same time.
If it is broken, can I use the restart files right before this step right to continue my simulation?

and shouldn’t I think this problem because of atoms missing (or gone) or high energy ?

Thanks in advance,

Ashok Kumar Bevara

6

Dr. Axel,

I'm running my jobs on cluster.
I didnt run running two calculations in the same directory at the same time.

that is what *you* think, but what you have shown us here in what your
level of expertise and knowledge of even fundamental issue is, does
not inspire much trust in what you think.

but also do you process/visualize on the cluster? you can take md5sums
and compare.

If it is broken, can I use the restart files right before this step right to
continue my simulation?

i have no crystal ball or psychic abilities. i cannot tell you
something about something that i don't see and cannot test. you have
to check yourself. chances are, that you made a mistake (on a cluster
that is *by far* the most common cause for such kind of file
corruption) then it is difficult to say how far the extend of this
corruption goes. but if it would indeed by a broken disk, then *any*
file on that file system can be corrupted, including restarts.

and shouldn't I think this problem because of atoms missing (or gone) or
high energy ?

see above. however, based on your previous statements, it is most
likely that those are simply the consequence of a bogus simulation due
to bad choice of settings and parameters.

7

Dr. Axel,

Thanks for reply
and
Sorry for the inconvenience I caused you by asking fundamental questions.
I’ll make sure to don’t repeat these.

Ashok Kumar Bevara