Hi dear lammps users,
I started to use stampede resources few days ago and I am really new to there. I tried to run a lammps simulation (granular packing simulation) and I got some errors. I tried my best to fix them but I couldn’t figure out myself. I might have done very basic mistakes and hope someone helps me to fix them. Specially I am not sure which modules to be loaded for running lammps simulations in the stampede.
thank you.
Nira.
Hi dear lammps users,
I started to use stampede resources few days ago and I am really new to
there. I tried to run a lammps simulation (granular packing simulation) and
I got some errors. I tried my best to fix them but I couldn't figure out
myself. I might have done very basic mistakes and hope someone helps me to
fix them. Specially I am not sure which modules to be loaded for running
lammps simulations in the stampede.
this really is a question about things specific to the stampede machine
and thus you should contact the stampede user support.
axel
Thank you Dr. Axel. I will contact them.
Nira
Your error seems to be related to the openkim library not being found at run time. I have never installed KIM support myself but before running any application trough the queuing system better make sure you can launch the lammps binary from the command line. Admins usually do not like users launching binaries this way on head nodes, but you can log onto some local node with a minimum size input file and small mem requirements and do all your trial and error in advance to ensure no time is wasted in queues with jobs that are guaranteed to fail right from the start.
Carlos
Dear Carlos,
Thank you for your valuable advice. I contacted to stampede online forum and they were able to fix that. They just changed name of the module in my batch script file. Then it started to work fine.
Thank you again.
Nira.