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" <[email protected]> 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 < > [email protected]> 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 > > [email protected] > > 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 > > ***** > Disclaimer: "Please note this message and any attachments are CONFIDENTIAL > and may be privileged or otherwise protected from disclosure. The contents > are not to be disclosed to anyone other than the addressee. Unauthorized > recipients are requested to preserve this confidentiality and to advise the > sender immediately of any error in transmission." > > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum
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