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.gar...@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@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 ***** 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 Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum
