hi
i have been using lammps for about a month now…i want to start using polymeric systems for which i want to generate an initial ‘*.data’ file…
i tried compiling the chain.f code that would use def.chain as an input…
but while using gfortran for compiling it, it always shows an error:
"/usr/lib/gcc/i686-pc-cygwin/4.5.0/crtend.o : cygming-crtrend.c : (.text+0x13) : undefined reference to ‘atexit’ "
how do i get rid of this error?
is there any other way to generate a data file for lammps?
any help would be really appreciated
thanks,
Prateek Maheshwari
Sophomore
Chemical Engineering Department
IIT Bombay
hi
i have been using lammps for about a month now..i want to start using
polymeric systems for which i want to generate an initial '*.data' file..
i tried compiling the chain.f code that would use def.chain as an input..
but while using gfortran for compiling it, it always shows an error:
"/usr/lib/gcc/i686-pc-cygwin/4.5.0/crtend.o : cygming-crtrend.c :
(.text+0x13) : undefined reference to 'atexit' "
how do i get rid of this error?
i don't know, but it looks like a bug in your compiler, not chain.f
since the undefined reference is referring to a c-language symbol,
not a fortran symbol.
is there any other way to generate a data file for lammps?
many. my personal favorite is using VMD and a plugin i wrote for it.
cheers,
axel.
For your Fortran compiler, you probably need to
link with other libs. See the docs for your compiler.
As Axel said, there are many other tools to build
input data files for LAMMPS. Some of them are
in the tools dir.
Steve