hi,
I am new to LAMMPS, recently I installed LAMMPS-4May11 version and trying to run the example scripts. Among all examples provided, I can execute successfully only the examples those are not utilizing potential data files (which are available in the potential folder). For the rest of the examples, where the input file contains some potential data file in the ‘pair_coeff’ line (for example, ffield.eim, SiC.meam etc.). The error I got as: “Invalid pair style”. After a hard try to fix this by reinstalling Lammps, I am posting here.
hi,
I am new to LAMMPS, recently I installed LAMMPS-4May11 version and trying to
run the example scripts. Among all examples provided, I can execute
successfully only the examples those are not utilizing potential data files
(which are available in the potential folder). For the rest of the examples,
where the input file contains some potential data file in the 'pair_coeff'
line (for example, ffield.eim, SiC.meam etc.). The error I got as: "Invalid
pair style". After a hard try to fix this by reinstalling Lammps, I am
posting here.
the error means, that the input script uses functionality from an optional
package that has not been compiled in.
please re-read the documentation about configuring and compiling
lammps and how to add packages. the individual pair styles are also
listed in the manual and their documentation also states whether those
are part of optional packages and which packages they belong to.
cheers,
axel.
Dear lammps users !
I do not see any possibility of variable time stepping
in lammps in the manual and found no info in the mail list.
That would be important in few cases, e.g. during
ion-bombardment or in those simulations where the
time step should be changed gradually during the course
of the simulation.
Is there a lammps version which can adjust the time step
dynamically ?
Best regards, Peter
Dear All,
I ran into problem on an old SUN/solaris system:
probably the Makefile in the src dir does not work
with the solaris unix commands (i used the most recent
release of the code):
bash-2.05$ make serial
grep: can't open "angle_*.h"
Make.sh: test: argument expected
diff: illegal option -- -
usage: diff [-bitw] [-c | -e | -f | -h | -n | -u] file1 file2
diff [-bitw] [-C number | -U number] file1 file2
compilers are OK:
bash-2.05$ c++
c++: No input files
bash-2.05$ g++
g++: No input files
No idea how to overcome this.
Best regards, Peter
2011/5/18 Süle Péter <[email protected]...>:
Dear All,
I ran into problem on an old SUN/solaris system:
probably the Makefile in the src dir does not work
with the solaris unix commands (i used the most recent
release of the code):
install a newer bash and the corresponding GNU utilities.
axel.
You could also try
make makelist
make -f Makefile.list machine
The first command creates an explicit Makefile.list which some
older machines can handle more easily - e.g. it doesn't require
gmake-style syntax.
Steve