tdep-developers / tdep

The Temperature Dependent Effective Potentials (TDEP) code
MIT License
49 stars 18 forks source link

Some HPC platforms impose mpirun for execution #66

Open mjv500 opened 1 month ago

mjv500 commented 1 month ago

the build breaks for TDEP executables on some HPC platforms which impose using mpirun when executing a program. As TDEP does this every time it compiles, to generate the man pages, it crashes. I suggest (tested with Samuel) adding an option in build_things.sh to enable calling this with an MPIRUN variable. If you agree with this strategy we can push a MR.

flokno commented 1 month ago

Sure, please go ahead 👍