Running parallel vasp4.6.19

Problems running VASP: crashes, internal errors, "wrong" results.


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Vahid Askarpour
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Joined: Sat Sep 27, 2008 5:35 pm
Location: Halifax, Canada

Running parallel vasp4.6.19

#1 Post by Vahid Askarpour » 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
Last edited by Vahid Askarpour on Thu Feb 12, 2009 1:35 am, edited 1 time in total.

support_vasp
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Re: Running parallel vasp4.6.19

#2 Post by support_vasp » Wed Sep 04, 2024 2:05 pm

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP


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