Issue with running LAMMPS in serial mode

LAMMPS LAMMPS Installation
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1

Dear all

I have question regarding running the LAMMPS successfully.

I am trying to use LAMMPS in a serial way. It seems to work on the head node of the HPC but whenever I try to run it using slurm, I get the following error:

lmp_nompi: error while loading shared libraries: libjpeg.so.62: cannot open shared object file: No such file or directory

Please help me out in recitifying my mistake.

thanks

2

This means that either you have not loaded an environment module for making JPEG support available on the compute node or that the JPEG library has not been installed. In the former case, this is something you can fix, in the latter case, this is an issue for your HPC cluster administrators. This is not a LAMMPS problem.

You can, of course, avoid this issue, if you disable support for the JPEG library when you compile LAMMPS.

3

Thanks amd apologies for delay in response as I was unavailable.

I did the serial tests on head node and it was successful (no such error of libjpeg and I didn;t load any libjpeg in the form of environmental modules also while doing the calculation). I could find libjpeg is present on the HPC. How can then only the problem appear for compute node? Then for each time when I am submitting the calculation, how can I ensure the libjpeg is loaded?

Thanks for your advice.

4

This is a question you should discuss with the people managing the cluster you are using. It is not a LAMMPS issue but a machine setup issue.