Problem in runnig mpirun command

[ybatraiuac@gmail.com]

After generating all 4 files i.e. POTCAR, POSCAR, INCAR, and KPOINT required for further calculations, i tried to run the command:
[pc@fedora ~]$ cd ~/Downloads/VASP/Calculation/GST/
[pc@fedora GST]$ mpirun -np2 vaspstd

But it's showing:
Open MPI has detected that a parameter given to a command line
option does not match the expected format:

Option: n
Param: vaspstd

This is frequently caused by omitting to provide the parameter
to an option that requires one. Please check the command line and try again.


I am not able for figure it out that what are the changes that required to make in which file or anything else can fix this problem?

[andreas.singraber]

Hello!

You probably just forgot the spaces between the arguments, the correct invocation of mpirun should be:

Code: Select all

mpirun -np 2 vasp_std

Note the spaces between the np argument and the number. Also, the VASP executable has an underscore in its name. If VASP's bin folder is not in your $PATH variable you will also have to give the full path, e.g.

Code: Select all

mpirun -np 2 /path/to/vasp/bin/vasp_std

Since this is not a bug, I will move the topic to the installation issues forum.

All the best,
Andreas Singraber