[Pw_forum] error: tcp_peer_recv_connect_ack

Fri Aug 7 19:50:24 CEST 2015

On Fri, Aug 7, 2015 at 6:08 AM, Mahya Zare <mahyazare68 at gmail.com> wrote:

please stop flooding this mailing list with repeated requests of the
same kind and particularly stop the extremely rude practice of
hijacking threads on completely different topics.

> Dear Users
> Kindly help me how to make Ceo2 nano sheet. I used the lattice parameters
> a=5.411A, C=15.0A, space group fm3m (225)
> and atomic positions Ce 0 0 0, and O 1/4 1/4 1/4,O 3/4 3/4 3/4 which are not
> looks ok. Please help me for makes pwscf

your questions are of the kind that you should first and foremost
discuss with your adviser or supervisor. it is not the job of a
mailing list to teach people basics of how to do computational
research and also not to tell you how to do your specific research
project. finding out how to do this in both cases are the
responsibility of yourself and your adviser/superviser.

please also keep in mind that your violations of common mailing list
courtesy will severely limit your chances or getting meaningful help.
there is only a limited pool of people out of all mailing list
subscribers that answer at all, but your behavior will irritate many
of them and thus you should not expect much more help outside of what
you already got unless you change your ways.

thanks for your understanding and cooperation,

      axel.

>
> Whether the position of atoms in the bulk of nano-sheet position of atoms in
> space is different or just by changing the working point in the Brillouin
> space to aim Rsyd.fayly I send you a sample of cerium oxide file is relaxing
> the nano-sheets is it limited to questions can get a full mesh? by choosing
> one of vector network as much as 15 angstroms
>
> On Fri, Aug 7, 2015 at 1:34 PM, Ludwig, Stephan
> <stephan.ludwig at pi1.physik.uni-stuttgart.de> wrote:
>>
>> Hello,
>>
>> I'm using Quantum-Espresso on a cluster. With normconserving
>> pseudopotentials. I don't have any problems.
>>
>> With ultrasoft pseudos I also receive a result for ecutwfc=60 ecutrho=240
>> (I did it just for test purpuses).
>>
>> When I enlarge these parameters to more sensible values (ecutwfc=80,
>> ecutrho=800) I receive the error message
>>
>>
>> [uc1n516:53049] [[53309,1],0] tcp_peer_recv_connect_ack: received
>> different version from [[0,62],469762048]: auth/none instead of 1.8.7
>> I have no idea what that means. Can anybody please help me?
>>
>>
>> The calculation is interrupted whithin the first scf-step.
>>
>> Here is my input:
>>
>>
>> &CONTROL
>> title = 'etot_vs_ecutwfc' ,
>> calculation = 'scf' ,
>> wf_collect = .FALSE.,
>> restart_mode = 'from_scratch',
>> max_seconds = 3.D+5,
>> outdir = './' ,
>> wfcdir = './' ,
>> pseudo_dir = '/home/st/st_st/st_phy72394/pseudo/' ,
>> prefix = 'MeDH-TTPetot_vs_ecutwfc' ,
>> /
>> &SYSTEM
>> ibrav = -12,
>> A = 32.783 ,
>> B = 7.995 ,
>> C = 11.170 ,
>> cosAB = 0 ,
>> cosAC = -0.132602381688 ,
>> cosBC = 0 ,
>> nat = 236,
>> ntyp = 5,
>> ecutwfc = 80,
>> ecutrho = 800,
>> occupations = 'smearing' ,
>> degauss = 0.02 ,
>> smearing = 'gaussian' ,
>> exxdiv_treatment = 'gygi-baldereschi' ,
>> /
>> &ELECTRONS
>> conv_thr = 1.0D-8
>> /
>> ATOMIC_SPECIES
>> H 1.00790 H.pz-rrkjus_psl.0.1.UPF
>> C 12.01100 C.pz-n-rrkjus_psl.0.1.UPF
>> F 18.98800 F.pz-n-rrkjus_psl.0.1.UPF
>> S 32.06500 S.pz-n-rrkjus_psl.0.1.UPF
>> As 74.92200 As.pz-n-rrkjus_psl.0.2.UPF
>> ATOMIC_POSITIONS angstroms
>> S 5.52835 0.29521 2.16999
>> S 21.91985 4.29246 2.16999
>> S 4.78777 7.69929 7.70567
>> S 21.17927 3.70204 7.70567
>> S 8.91117 6.37745 3.91040
>> S 25.30267 2.38020 3.91040
>> S 8.17058 1.61705 9.44608
>> S 24.56208 5.61430 9.44608
>> S 8.53628 0.30838 1.68728
>> S 24.92778 4.30563 1.68728
>> S 7.79569 7.68612 7.22296
>> S 24.18719 3.68887 7.22296
>> S 5.91488 6.35256 4.41083
>> S 22.30638 2.35531 4.41083
>> S 5.17429 1.64194 9.94651
>> S 21.56579 5.63919 9.94651
>> As 31.25307 7.42312 4.40640
>> As 14.86156 3.42587 4.40640
>> As 30.51248 0.57138 9.94208
>> As 14.12098 4.56863 9.94208
>> S 22.77175 0.24544 7.42335
>> S 6.38025 4.24269 7.42335
>> S 23.51233 7.74906 1.88767
>> S 7.12083 3.75181 1.88767
>> S 22.41272 6.31548 5.17143
>> S 6.02122 2.31823 5.17143
>> S 21.67213 1.67902 10.70711
>> S 5.28063 5.67627 10.70711
>> S 19.75130 0.27959 7.86510
>> S 3.35980 4.27684 7.86510
>> S 20.49188 7.71491 2.32941
>> S 4.10038 3.71766 2.32941
>> S 19.39879 6.33792 5.62425
>> S 3.00729 2.34067 5.62425
>> S 20.13937 1.65658 0.08857
>> S 3.74787 5.65383 0.08857
>> S 25.96310 0.08881 6.99046
>> S 9.57160 4.08606 6.99046
>> S 26.70368 7.90569 1.45478
>> S 10.31218 3.90844 1.45478
>> S 25.56056 6.28376 4.68983
>> S 9.16906 2.28651 4.68983
>> S 24.81997 1.71074 10.22551
>> S 8.42848 5.70799 10.22551
>> S 12.08748 6.57702 3.54505
>> S 28.47898 2.57977 3.54505
>> S 11.34689 1.41748 9.08073
>> S 27.73839 5.41473 9.08073
>> S 11.74373 0.68898 1.53781
>> S 28.13523 4.68623 1.53781
>> S 11.00315 7.30552 7.07349
>> S 27.39465 3.30827 7.07349
>> C 2.50124 7.97352 2.72134
>> C 18.89274 3.97627 2.72134
>> C 1.76066 0.02098 8.25702
>> C 18.15215 4.01823 8.25702
>> H 2.98979 0.63970 2.22534
>> H 19.38129 4.63695 2.22534
>> H 2.24920 7.35480 7.76102
>> H 18.64071 3.35755 7.76102
>> H 1.85588 0.41427 3.28266
>> H 18.24738 4.41152 3.28266
>> H 1.11530 7.58023 8.81834
>> H 17.50680 3.58298 8.81834
>> H 2.05231 7.38359 2.11352
>> H 18.44381 3.38634 2.11352
>> H 1.31173 0.61091 7.64920
>> H 17.70323 4.60816 7.64920
>> F 32.09159 6.20228 3.55280
>> F 15.70009 2.20503 3.55280
>> F 31.35101 1.79222 9.08848
>> F 14.95951 5.78947 9.08848
>> F 31.99917 0.61481 3.45094
>> F 15.60767 4.61206 3.45094
>> F 31.25859 7.37969 8.98662
>> F 14.86709 3.38244 8.98662
>> F 30.39326 0.65482 5.22458
>> F 14.00176 4.65207 5.22458
>> F 29.65268 7.33968 10.76026
>> F 13.26118 3.34243 10.76026
>> F 30.47339 6.23106 5.35854
>> F 14.08189 2.23381 5.35854
>> F 29.73280 1.76344 10.89422
>> F 13.34130 5.76069 10.89422
>> F 29.96030 7.30601 3.28598
>> F 13.56880 3.30876 3.28598
>> F 29.21972 0.68849 8.82166
>> F 12.82821 4.68574 8.82166
>> F -0.26088 7.52461 5.52461
>> F 16.13062 3.52736 5.52461
>> F -1.00147 0.46989 11.06029
>> F 15.39003 4.46714 11.06029
>> C 4.77264 7.25965 3.40666
>> C 21.16414 3.26240 3.40666
>> C 4.03205 0.73485 8.94234
>> C 20.42355 4.73210 8.94234
>> C 7.12868 7.79932 2.56191
>> C 23.52018 3.80207 2.56191
>> C 6.38809 0.19518 8.09759
>> C 22.77959 4.19243 8.09759
>> C 24.86295 7.22306 5.97079
>> C 8.47145 3.22581 5.97079
>> C 25.60353 0.77144 0.43510
>> C 9.21203 4.76869 0.43510
>> C 18.61690 7.45190 6.77235
>> C 2.22540 3.45465 6.77235
>> C 19.35749 0.54260 1.23667
>> C 2.96599 4.53985 1.23667
>> C 11.00638 7.55584 2.60731
>> C 27.39788 3.55859 2.60731
>> C 10.26580 0.43866 8.14299
>> C 26.65730 4.43591 8.14299
>> C 9.65436 7.44215 2.72245
>> C 26.04587 3.44490 2.72245
>> C 8.91378 0.55235 8.25813
>> C 25.30528 4.54960 8.25813
>> C 16.66566 0.56358 7.82192
>> C 0.27416 4.56083 7.82192
>> C 17.40624 7.43092 2.28624
>> C 1.01474 3.43367 2.28624
>> H 17.33387 0.90270 8.42088
>> H 0.94237 4.89995 8.42088
>> H 18.07446 7.09180 2.88520
>> H 1.68295 3.09455 2.88520
>> H 15.99844 0.08734 8.32234
>> H -0.39307 4.08459 8.32234
>> H 16.73902 7.90716 2.78666
>> H 0.34752 3.90991 2.78666
>> H 16.25380 1.29452 7.35581
>> H -0.13770 5.29177 7.35581
>> H 16.99438 6.69998 1.82013
>> H 0.60288 2.70273 1.82013
>> C 2.84149 6.31548 4.62008
>> C 19.23299 2.31823 4.62008
>> C 2.10091 1.67902 10.15576
>> C 18.49241 5.67627 10.15576
>> H 3.50975 5.72019 4.96440
>> H 19.90125 1.72294 4.96440
>> H 2.76917 2.27431 10.50008
>> H 19.16067 6.27156 10.50008
>> H 2.12009 5.80314 4.23922
>> H 18.51159 1.80589 4.23922
>> H 1.37951 2.19136 9.77491
>> H 17.77101 6.18861 9.77491
>> H 2.49999 6.86149 5.33308
>> H 18.89149 2.86424 5.33308
>> H 1.75941 1.13301 10.86876
>> H 18.15091 5.13026 10.86876
>> C 16.35379 6.90785 5.93536
>> C -0.03771 2.91060 5.93536
>> C 17.09438 1.08665 0.39968
>> C 0.70288 5.08390 0.39968
>> H 16.84589 6.32182 5.35300
>> H 0.45439 2.32457 5.35300
>> H 16.10531 1.67268 10.88868
>> H -0.28619 5.66993 10.88868
>> H 15.86389 7.54510 5.40947
>> H -0.52761 3.54785 5.40947
>> H 15.12331 0.44940 10.94515
>> H -1.26819 4.44665 10.94515
>> H 15.74245 6.39404 6.46678
>> H -0.64905 2.39679 6.46678
>> H 16.48303 1.60046 0.93110
>> H 0.09153 5.59771 0.93110
>> C 17.30660 7.62854 6.82992
>> C 0.91510 3.63129 6.82992
>> C 18.04719 0.36596 1.29424
>> C 1.65569 4.36321 1.29424
>> C 3.44486 7.19037 3.56498
>> C 19.83636 3.19312 3.56498
>> C 2.70427 0.80413 9.10066
>> C 19.09577 4.80138 9.10066
>> C 7.30907 6.93029 3.56166
>> C 23.70057 2.93304 3.56166
>> C 6.56849 1.06421 9.09734
>> C 22.95999 5.06146 9.09734
>> C 23.51465 7.25282 6.17782
>> C 7.12315 3.25557 6.17782
>> C 24.25523 0.74168 0.64214
>> C 7.86373 4.73893 0.64214
>> C 21.16001 7.74028 6.99710
>> C 4.76851 3.74303 6.99710
>> C 21.90060 0.25422 1.46142
>> C 5.50910 4.25147 1.46142
>> C 21.00252 6.87857 5.99071
>> C 4.61102 2.88132 5.99071
>> C 21.74310 1.11593 0.45503
>> C 5.35160 5.11318 0.45503
>> C 27.41664 7.76370 5.98186
>> C 11.02514 3.76645 5.98186
>> C 28.15722 0.23080 0.44618
>> C 11.76572 4.22805 0.44618
>> H 27.59489 0.54455 5.42718
>> H 11.20339 4.54180 5.42718
>> H 26.85431 7.44995 10.96286
>> H 10.46280 3.45270 10.96286
>> H 28.18126 7.63147 6.56310
>> H 11.78976 3.63422 6.56310
>> H 28.92184 0.36303 1.02742
>> H 12.53034 4.36028 1.02742
>> C 27.26323 6.60922 5.13933
>> C 10.87173 2.61197 5.13933
>> C 26.52265 1.38528 10.67501
>> C 10.13115 5.38253 10.67501
>> H 27.61795 5.83339 5.59879
>> H 11.22645 1.83614 5.59879
>> H 28.35854 2.16111 0.06311
>> H 11.96704 6.15836 0.06311
>> H 27.78169 6.73853 4.33001
>> H 11.39019 2.74128 4.33001
>> H 27.04111 1.25597 9.86569
>> H 10.64961 5.25322 9.86569
>> C 13.44202 0.18298 1.85556
>> C 29.83352 4.18023 1.85556
>> C 12.70144 7.81152 7.39124
>> C 29.09294 3.81427 7.39124
>> H 13.72839 7.55876 1.16581
>> H 30.11989 3.56151 1.16581
>> H 12.98780 0.43574 6.70150
>> H 29.37930 4.43299 6.70150
>> H 14.02273 0.95930 1.82235
>> H 30.41423 4.95655 1.82235
>> H 13.28214 7.03520 7.35803
>> H 29.67364 3.03795 7.35803
>> C 13.55775 7.53144 3.17416
>> C 29.94925 3.53419 3.17416
>> C 12.81716 0.46306 8.70984
>> C 29.20866 4.46031 8.70984
>> H 13.68661 0.21518 3.85616
>> H 30.07811 4.21243 3.85616
>> H 12.94602 7.77932 9.39184
>> H 29.33752 3.78207 9.39184
>> H 14.33307 6.94883 3.18191
>> H 30.72457 2.95158 3.18191
>> H 13.59248 1.04567 8.71759
>> H 29.98398 5.04292 8.71759
>> K_POINTS automatic
>> 1 2 2 0 0 0
>>
>>
>> Thanks and regards
>>
>>
>> Stephan Ludwig
>>
>>
>> _______________________________________________
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>
>
>
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-- 
Dr. Axel Kohlmeyer  akohlmey at gmail.com  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.