LAMMPS compilation using modules

Hi all,

I use LAMMPS for my research and I typically use a Makefile for the compilation. I am trying to compile it using a couple of ways.

First I’m using:
module purge
module load usc
module load openmpi/4.0.2
make mpi
However I get an error:
In file included from …/DEPEND/fastdep.c:30:0:
/usr/include/stdio.h:33:21: fatal error: stddef.h: No such file or directory
# include <stddef.h>
compilation terminated.
make[1]: *** [fastdep.exe] Error 1
Can you help me with this error?

Additionally, in the old system I used to use the intel compiler and openmpi:
source /usr/usc/intel/16.0/
source /usr/usc/openmpi/1.8.8/
so I tried with the modules:
module load intel/19.0.4
module load intel-mpi
make mpi
In this case I get a very long list of errors.

If you know how I can fix these issues, either with the gcc or intel compiler I would appreciate your help.

Thank you,

Hi Jose, I responded to your ticket. There’s also a lammps module available now, but not all of the packages have been built yet.