Yambo Community Forum

Recently I am doing GW calculations of certain 2D materials and when I try to do parallel calculations by using Yambo, errors came out:

yambo : invalid option -- p

The corresponding submitted script to the PBS system is

#PBS -N dudulu
#PBS -l nodes=1:ppn=12
cd $PBS_O_WORKDIR
cp $PBS_NODEFILE node

/usr/local/mpich-1.2.7p1-ifc/bin/mpirun -np 12 -machinefile node /home/caowd/bin/yambo

This script works well in quantum-espresso, so I wonder why it fails in Yambo?
I am looking forwards to your response.

Dear Wen-Dong Cao,
this looks to be a known problem related to mpich in certain machine. The easy solution is to use mpich2 or openmpi.
You can have a look to this post or this.
Best,
Daniele

　Thank you Daniele, I have understood my problem and fixed it by installing a new mpi as you suggested