[Pw_forum] How to disable parallel configuration

[Filippo Spiga]

Dear Gargee,

Are you running QE-GPU on your laptop? Most likely it is not going to work or, if works, it is going to be slow anyway. GPU embedded in laptops are not powerful enough, QE-GPU works better with NVIDIA TESLA GPU (e.g. K20, K40 and K80). These cards are designed for compute workload.

HTH

Regards,
Filippo

On Jun 8, 2015, at 8:51 AM, Gargee Bhattacharyya <bhattacharyya.gargee at gmail.com> wrote:
> 
> Sir ,
>        I am having error of following type
> 
> MPI_ABORT was invoked on rank 0 in communication MPI_COMM_WORLD with error code 0. I am running my program from my laptop. I am trying to disable parallel configuration from the help of following link :
> 
> https://github.com/fspiga/QE-GPU
> 
> I shall be highly obliged if you help me to disable the parallel configuration in my laplop. 
> 
> &control
>   calculation='scf'
>   restart_mode='from_scratch'
>   tstress=.true.
>   tprnfor=.true.
>   prefix='ZnO'
>   pseudo_dir='/home/iit/GARGEE/espresso-5.1.2/pseudo/',
>   out_dir='home/iit/GARGEE/ZnO/',
>   forc_conv_thr=1.D-4
> /
> &system
>   ibrav=4
>   nat=4
>   ntyp=2
>   A=3.2495
>   B=3.2495
>   C=3.2495
>   cosAB=0
>   cosBC=0
>   cosAC=-0.577
>   ecutwfc=55
>   ecutrho=440
> /
> &electrons
>   conv_thr=1.0e-10
> /
> &IONS
> /
> &CELL
> /
> &ATOMIC_SPECIES
>   Zn 65  Zn.pbe-van.UPF
>    O 16   O.pbe-van_ak.UPF
> /
> &ATOMIC_POSITIONS(crystal)
>   Zn  0.0   0.0   0.0
>   Zn  0.333 0.666 0.5
>   O   0.0   0.0   0.345
>   O   0.333 0.666 0.845 
> K_POINTS automatic
>   4 4 4 0 0 0
> 
> 
> -- 
> Yours sincerely 
> 
> Gargee Bhattacharyya
> ​PhD Student
> Materials Sciences & Engineering
> Indian Institute ​​of Technology, Indore
> ​
> M.Tech (VLSI Design & Microelectronics Technology)
> Department of ETCE
> Jadavpur University 
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--
Mr. Filippo SPIGA, M.Sc.
http://fspiga.github.io ~ skype: filippo.spiga

«Nobody will drive us out of Cantor's paradise.» ~ David Hilbert

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