Running parallel vasp4.6.19
Posted: Thu Feb 12, 2009 1:35 am
Dear VASP users,
I am new to VASP so most of you may find this easy.
While running vasp in parallel (using 4 nodes) on a Parallel Sun x4600 and x2200 AMD Opteron (dual-core) cluster , I noticed that at the beginning of my OUTCAR file, it says "running on one nodes". My INCAR file includes the following lines:
ALGO=Very_Fast
IALGO=48
LPLANE=.TRUE.
NPAR=4
LSCALU=.FALSE.
NSIM=4
In addition, when submitting the job, the following line is included in my script
#$ -pe ompi* 4
The qstat command shows that 4 nodes are engaged but in the OSZICAR, every line is repeated 4 times.
Does this mean that I am running four identical serial jobs?
Thanks,
Vahid
I am new to VASP so most of you may find this easy.
While running vasp in parallel (using 4 nodes) on a Parallel Sun x4600 and x2200 AMD Opteron (dual-core) cluster , I noticed that at the beginning of my OUTCAR file, it says "running on one nodes". My INCAR file includes the following lines:
ALGO=Very_Fast
IALGO=48
LPLANE=.TRUE.
NPAR=4
LSCALU=.FALSE.
NSIM=4
In addition, when submitting the job, the following line is included in my script
#$ -pe ompi* 4
The qstat command shows that 4 nodes are engaged but in the OSZICAR, every line is repeated 4 times.
Does this mean that I am running four identical serial jobs?
Thanks,
Vahid