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?
Problem in runnig mpirun command
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Re: Problem in runnig mpirun command
Hello!
You probably just forgot the spaces between the arguments, the correct invocation of mpirun should be:
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.
Since this is not a bug, I will move the topic to the installation issues forum.
All the best,
Andreas Singraber
You probably just forgot the spaces between the arguments, the correct invocation of mpirun should be:
Code: Select all
mpirun -np 2 vasp_std
Code: Select all
mpirun -np 2 /path/to/vasp/bin/vasp_std
All the best,
Andreas Singraber