Compiling Ubuntu 17.10


Clicked A Few Times
Could anyone help me compile the program to run in parallel on Ubuntu 17.10?

Forum Vet
mpirun -np 3 $NWCHEM_TOP/bin/LINUX64/nwchem "input file name"


https://github.com/nwchemgit/nwchem/wiki/Running#parallel-execution-on-unix-based-parallel...

Clicked A Few Times
I'm sorry, I do not think I explained my question well, thank you anyway. Actually I'm having trouble compiling the software.


Forum >> NWChem's corner >> Compiling NWChem