[Pw_forum] How to disable parallel configuration

[ashkan shekaari]

Dear gather
The problem is not about your parallel config
This is because of your input file and I think the problem arises from tour
&system card

Best Regards
Ashkan Shekaari
Independent Condensed-Matter Researcher / Programmer
Tehran, Iran
Tell: +98 933 459 7122 ; +98 921 346 7384
Website: http://fizx.blogfa.com
On Jun 8, 2015 12:54 PM, "Filippo Spiga" <spiga.filippo at gmail.com> wrote:

> 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
> > _______________________________________________
> > Pw_forum mailing list
> > Pw_forum at pwscf.org
> > http://pwscf.org/mailman/listinfo/pw_forum
>
> --
> 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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