Restart2data Invalid Flag Error

Dear Lammps-users group,

I'm trying to convert a restart file to data file using the restart2data tool and am receiving an error. In the past, I've successfully used the restart2data tool with a similar system using an older version of LAMMPS (July 13, 2011). I've since updated to the December 1st version and recompiled the associated restart2data tool (19 Aug 2011 version). Now, whenever I try to produce a data file, I receive the following error:

ERROR: Invalid flag in header section of restart file 184549376

which I understand is an invalid entry in the restart file as per the LAMMPS manual. Below is a sample input file, which I've successfully used in the past to convert a restart to data file. I was wondering if the problem lies on my end or if there's a possible bug with the current restart2data tool. I can use "read_restart" successfully for a simulation, even if that same restart file will fail when trying to convert to a data file. Finally, this problem has occurred with several different input decks, not just the one posted below. Any input is appreciated.

Thanks,

Chris Shumeyko

Dear Lammps-users group,

I'm trying to convert a restart file to data file using the
restart2data tool and am receiving an error. In the past, I've
successfully used the restart2data tool with a similar system using an
older version of LAMMPS (July 13, 2011). I've since updated to the
December 1st version and recompiled the associated restart2data tool
(19 Aug 2011 version). Now, whenever I try to produce a data file, I
receive the following error:

ERROR: Invalid flag in header section of restart file 184549376

which I understand is an invalid entry in the restart file as per the
LAMMPS manual. Below is a sample input file, which I've successfully
used in the past to convert a restart to data file. I was wondering if
the problem lies on my end or if there's a possible bug with the
current restart2data tool. I can use "read_restart" successfully for a
simulation, even if that same restart file will fail when trying to
convert to a data file. Finally, this problem has occurred with
several different input decks, not just the one posted below. Any
input is appreciated.

chris,

the decisive question is: is the restart generated with a
current or an older version of lammps?

there are occasional changes to the restart format
that may cause incompatibilities. in those cases, you
have to use an old version of restart2data.

axel.

Axel,

The restart was generated with my most up-to-date version of lammps (12/1/2011) and that version's associated restart2data tool. I actually just created these restart files this morning. As a check, I tried converting to a data file via an older restart2data (lammps version: 10/26, 9/30, 7/13) to see if that would change things as per your suggestion, but still receiving the same error.

Regards,
Chris

Quoting Axel Kohlmeyer <[email protected]>:

Axel,

The restart was generated with my most up-to-date version of lammps
(12/1/2011) and that version's associated restart2data tool. I actually just
created these restart files this morning. As a check, I tried converting to
a data file via an older restart2data (lammps version: 10/26, 9/30, 7/13) to
see if that would change things as per your suggestion, but still receiving
the same error.

ok. i need a complete input that shows this behavior
with all required files, so i can reproduce and debug it.

there is no easy way to tell what is wrong without
being able to create and examine the files myself.

thanks,
    axel.

Forgot to CC the group for the email below, my apologies.

Axel,

Associated input file and data file are attached. Since I'm using custom potentials, I've included those files, as well an output file for your reference. Thanks in advance for your help.

Regards,
Chris

Quoting Axel Kohlmeyer <[email protected]>:

LiC_Table.dat (2.21 MB)

LiLi_Table.dat (2.17 MB)

BEX1.dat (5.05 MB)

in.BE1 (1.18 KB)

out.BE1 (173 KB)