Compiling Ubuntu 17.10
Clicked A Few Times
2:39:25 PM PST - Thu, Jan 11th 2018
Could anyone help me compile the program to run in parallel on Ubuntu 17.10?
Forum Vet
3:28:51 PM PST - Thu, Jan 11th 2018
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
5:48:02 PM PST - Sat, Jan 13th 2018
I'm sorry, I do not think I explained my question well, thank you anyway. Actually I'm having trouble compiling the software.
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Compiling NWChem