restart2data compilation error in lammps-4Jul12 version

Dear all,
I am using lammps 4Jul12 version in parallel with 32 nodes, it works fine and as well as all the default packages have installed successfully. I am using intel c compiler, when I am trying to compile restart2data.cpp by the command line

icc restart2data.cpp
it’s showing some warnings and as well as errors ultimately, I’m not getting the executable, the errors are as follows

restart2data.cpp(466): warning #592: variable “procfile” is used before its value is set
sprintf(procfile,"%s%d%s",restartfile,iproc,ptr+1);
^

Have anybody experienced such problems, need your suggestion.

Thanks

Swain Paul

dear paul,

Dear all,
I am using lammps 4Jul12 version in parallel with 32 nodes, it works fine
and as well as all the default packages have installed successfully. I am
using intel c compiler, when I am trying to compile restart2data.cpp by the
command line

icc restart2data.cpp
it's showing some warnings and as well as errors ultimately, I'm not getting
the executable, the errors are as follows

restart2data.cpp(466): warning #592: variable "procfile" is used before its
value is set
        sprintf(procfile,"%s%d%s",restartfile,iproc,ptr+1);
                ^
Have anybody experienced such problems, need your suggestion.

this is a harmless warning and not an error. in fact,
the variable procfile is *meant* to be used before it
is being set, that is what the call to sprintf() is for.

when you have a problem with an older version of the code,
the first thing to check is to upgrade to the latest version.
nobody will want to fix bugs that have already been fixed.

axel.

Dear Sir,
I’m using national grid facility to run lammps job. So I have no provision to install recent distribution however restart2data.cpp have compiled through the command line icpc restart2data.cpp, I have got executable a.out (although i neglect the errors)

But the new problem is when I run it with a binary input it shows

garuda4@…3878…:…lammps-4Jul12/tools> ./a.out largebulknvtfinal finaldata
Reading restart file …
WARNING Restart file version does not match restart2data version
restart2data version = 17 May 2012
Restart file version = 4 Jul 2012
Ntimestep = 40000
Nprocs = 32
Natoms = 16000000
Unit style = metal
Atom style = atomic
Pair style = eam/alloy
Xlo xhi = -0.328701 1452.6
Ylo yhi = -0.105926 363.126
Zlo zhi = -0.105926 363.126
Periodicity = 1 1 1
Boundary = 0 0, 0 0, 0 0
Writing data file …

why this WARNING comes when I am using the same version of lammps and restart2data ?

the data file have created but when I am using this data for my next step it gives error
“unexpected end of data file”

is this the error due to the WARNING msg during binary2data conversation or any thing else.
Here the no of atom is 16000000, i’m using 8 nodes with 4 processes per node. Is this occurring due to less free memory ?
Whereas I am using small system dimension with 6400000 atoms, it’s working properly and read_data command running without the above error (i.e unexpected end of data file )
So how much memory it needs for approx 20 millions of atoms ?

Thanks a lot…

Thanks
&
Regards,

Swain Paul

I'm confused. Restart2data runs on a single processor. You can examine
the data file it produces (e.g. count the lines) to see if it is a correctly
formatted data file. For a simple atomic system the file will simply
have Atoms and Velocities. You should be able to see if there is
any issue that will cause LAMMPS to complain when it reads the file.

Steve