[lammps-users] reg: running lammps on GPU

Dear lammps users and developers,

I compiled lammps on our GPU machine( TESLA 2050) and I tried to run a test case ( LJ fluid)
using the following input script…

Maybe Paul or Mike has an idea.


Bugs have been introduced into the lj/gpu potential in the main LAMMPS distribution; this needs to be updated. For GPU acceleration, please use the code at:


and read the new README in lib/gpu and documentation in doc/Section_start.html under running on GPUs as this has changed. If you still have problems, I can address them for this code.

Thanks. - Mike

Maybe Paul or Mike has an idea.


Dear all,

I compiled the latest version(lammps-12Oct10) and still the problem persits.
P.S: I built gpu library with the following option

with regards

Did you download the code with the svn checkout instructions from the site I provided? Is the root directory name for the distribution gpulammps? The code is not available from the main LAMMPS site.

- Mike


From your message, it looks like you didn’t try using the code at:


as Mike suggested. Would you mind trying this and letting us know?