<div>Dear Ding </div>
<div> thanks for your help .accoding to suggestion ,i did some small tests on these question .</div>
<div>but i find if i use >2 cpu from relax,there is always error ,for example :in relax outfile:</div>
<div><br> </div>
<p>ATOMIC_POSITIONS (crystal)<br>H -0.198038036 0.118658320 0.038439471<br>H -0.156238802 0.183672385 0.037451256<br>O -0.201997079 0.167103737 0.035109275</p>
<p> </p>
<p> Writing output data file gash2o.save<br> Check: negative starting charge= -0.027067</p>
<p> second order charge density extrapolation<br>p3_4229: p4_error: net_recv read: probable EOF on socket: 1<br>p2_4108: p4_error: net_recv read: probable EOF on socket: 1<br>p1_4369: p4_error: : 8097<br>[1] MPI Abort by user Aborting program !
<br>[1] Aborting program!<br>rm_l_3_4346: (16650.921875) net_send: could not write to fd=5, errno = 32<br>rm_l_2_4225: (16651.347656) net_send: could not write to fd=7, errno = 32<br>p2_4108: (16657.351562) net_send: could not write to fd=5, errno = 32
<br>p3_4229: (16656.933594) net_send: could not write to fd=5, errno = 32<br>Fri Jun 8 21:58:05 CST 2007<br></p>
<p> </p>
<div> </div>
<div><font color="#ff6666">i check the cpus they are ok not down.because other job is runing on it .i wonder what happend ? this problem is parallel issuue ?or others?need your help .thanks again</font> </div>
<div><br> </div>
<div><span class="gmail_quote">2007/6/8, Xunlei Ding <<a href="mailto:ding@sissa.it">ding@sissa.it</a>>:</span>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">Dear xu,<br>Yes, you are right because ph.x need to read wfc files of scf<br>calculation. So the number of cpu should be the same.
<br>Maybe you can try wf_collect=.true. in scf calculation if you want to<br>change the cpu number.<br><br>And I suggest you to do some small tests on these questions.<br><br>Best wishes,<br>Ding<br><br>xu yuehua wrote:<br>
<br>> Dear Ding:<br>> I think about your idea , if your idea is correct ,that says:if i use<br>> 6 cpu to do scf ,then i must use the same number of cpu to continue<br>> tophonon calculation .is it right for me to comprehend your idea ?
<br>> need your help thanks a lot<br>><br>><br>> 2007/6/8, Xunlei Ding <<a href="mailto:ding@sissa.it">ding@sissa.it</a> <mailto:<a href="mailto:ding@sissa.it">ding@sissa.it</a>>>:<br>><br>> Dear Xu,
<br>> I think,<br>> error for 6 cpu calculation is just because one of the six nodes<br>> is down,<br>> and error for 4 cpu calculation is because you change 6 cpu to 4 cpu.<br>> So my suggestion is, doing the ph calculation with 6 cpu again.
<br>><br>> Hope it will works.<br>><br>> Yours,<br>> ding<br>><br>><br>><br>> xu yuehua wrote:<br>><br>> > hi everyone?<br>> > today i met a problem when i compute phonon :first i do scf using 6
<br>> > cpu ,then i also use 6 cpu to do phono at G,BUT a problem came<br>> out in<br>> > out.file :<br>> ><br>> ><br>> ><br>> > Proc/ planes cols G planes cols G columns G
<br>> > Pool (dense grid) (smooth grid) (wavefct grid)<br>> > 1 5 3284 53988 4 2408 34052 719 5577<br>> > 2 4 3283 53987 4 2407 34051 719 5577
<br>> > 3 4 3283 53987 4 2407 34049 719 5577<br>> > 4 4 3283 53987 4 2407 34051 719 5577<br>> > 5 4 3283 53987 4 2407 34049 719 5577<br>
> > 6 4 3283 53987 4 2407 34051 720 5576<br>> > 0 25 19699 323923 24 14443 204303 4315 33461<br>> ><br>> ><br>> > nbndx = 20 nbnd = 20 natomwfc = 30 npwx
<br>> = 4282<br>> > nelec = 40.00 nkb = 50 ngl = 10269<br>> > p0_9381: p4_error: net_recv read: probable EOF on socket: 1<br>> > Killed by signal 2.^M<br>> > forrtl: error (69): process interrupted (SIGINT)
<br>> > Killed by signal 2.^M<br>> > Killed by signal 2.^M<br>> > Killed by signal 2.^M<br>> > Killed by signal 2.^M<br>> > p0_9381: (12.363281) net_send: could not write to fd=4, errno = 32
<br>> > Fri Jun 8 09:41:35 CST 2007<br>> ><br>> > because i do not know the reason .and then i try to use 4 cpu to<br>> > compute phono ,this time the error is like this :<br>> >
<br>> ><br>> ><br>> ><br>> > Representation 44 1 modes - To be done<br>> ><br>> > Representation 45 1 modes - To be done<br>> > IOS = 36
<br>> ><br>> > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>> > from davcio : error # 20<br>> > i/o error in davcio<br>> > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
<br>> ><br>> ><br>> > stopping ...<br>> ><br>> > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>><br>> > from davcio : error # 20
<br>> > i/o error in davcio<br>> > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>> ><br>> ><br>> > stopping ...<br>> > [0] MPI Abort by user Aborting program !
<br>> > [0] Aborting program!<br>> > p0_11006: p4_error: : 0<br>> > Killed by signal 2.^M<br>> > forrtl: error (69): process interrupted (SIGINT)<br>> > p0_11006: (18.296875
) net_send: could not write to fd=4, errno<br>> = 32<br>> > Fri Jun 8 09:57:22 CST 2007<br>> ><br>> > above two case ,the same input:<br>> > phonons of fiveringwater at Gamma
<br>> > &inputph<br>> > tr2_ph=1.0d-14,<br>> > prefix='fxx_specify_ibra_500_12+force',<br>> > epsil=.true.,<br>> > amass(1)=1.0,<br>> > amass(2)=
15.999,<br>> > outdir='/raid/xx/pwscf/tmp/',<br>> > fildyn='fxx.dynG',<br>> > /<br>> > 0.0 0.0 0.0<br>> ><br>> ><br>> ><br>> >
<br>> ><br>> > so my question is why different number of cpu can change the<br>> error ?<br>> > befor a few days ago ,i use 2 cpu to do relax ,scf and phonon about<br>> > another case ,there was well ,but now .....?
<br>> > i need your help .thanks<br>> ><br>> > --<br>> > Xu Yuehua<br>> > physics Department of Nanjing university<br>> > China<br>><br>> _______________________________________________
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</div><br><br clear="all"><br>-- <br>Xu Yuehua<br>physics Department of Nanjing university<br>China