[Pw_forum] error: tcp_peer_recv_connect_ack
David Foster
davidfoster751 at yahoo.com
Sat Aug 8 17:08:45 CEST 2015
Dear Mahya
I agree with Axel, too. But some points for you:
1- The first thing, you should recognize your crystal symmetry, and choose proper ibrav
2- start the input file from PW examples, and change the commands according your need.
3- Always, I emphasize, always, check your input file with xcrysden, before you run.
4- Use some graphical progrms such as GaussView, VESTA, Materials Studio, ..., if you can not recognize the proper position of atoms.
5- Before doing anything, read manuals of the code, run its example, download the free tutorials, do the exercises.
Regards
David Foster
Ph.D. Student of Chemistry
--------------------------------------------
On Fri, 8/7/15, Axel Kohlmeyer <akohlmey at gmail.com> wrote:
Subject: Re: [Pw_forum] error: tcp_peer_recv_connect_ack
To: "PWSCF Forum" <pw_forum at pwscf.org>
Date: Friday, August 7, 2015, 10:50 AM
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
>>
>>
>>
_______________________________________________
>> Pw_forum mailing list
>> Pw_forum at pwscf.org
>> http://pwscf.org/mailman/listinfo/pw_forum
>
>
>
>
_______________________________________________
> Pw_forum mailing list
>
Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
--
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.
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