Andrea, I checked the directory, all files are there. See below,
ls /gpfsTMP/hqzhou/tmp/sill_1.04v0/q1/_ph0sill_1.04v0.phsave/ data-file.xml data-file.xml.2 data-file.xml.5 data-file.xml.8 data-file.xml.1 data-file.xml.3 data-file.xml.6 data-file.xml.1.0 data-file.xml.4 data-file.xml.7 It's a little bit insane, this error only occurred when I compute the first q point (gamma). ph.x worked fine while calculating other q points. You can see the script snippet in my second post in this thread, I had created neccessary directories and copied all needed files in advance before distributing jobs. Any ideas? huiqun zhou @earth sciences, nanjing university, china ----- Original Message ----- From: "Dal Corso Andrea" <[email protected]> To: "PWSCF Forum" <pw_forum at pwscf.org> Sent: Wednesday, July 07, 2010 8:06 PM Subject: Re: [Pw_forum] Distributing phonon calculations todifferent machines > On Tue, 2010-07-06 at 17:55 +0800, Huiqun Zhou wrote: >> Thanks, Andrea. >> >> As indicated in the script below, I have copied all files and directories >> created >> by pw.x run. >> >> if test ! -d $TMP_DIR/${system}/q${i} ; then >> mkdir $TMP_DIR/${system}/q${i} >> cp -r $TMP_DIR/${system}/${system}.* $TMP_DIR/${system}/q${i} >> fi >> > > Are the files really there? If all the files are in the directory > $TMP_DIR/${system}/q${i} there is no reason why the ph.x code stops. > If they are not, I cannot help you. It is not a problem of ph.x. > > >> BTW, could you please describe more in detail about the newly added >> information >> in INPUT_PH.html for distributing phonon calculations to cluster? If I >> set >> wf_collect >> to true, there should be no relation in nproc and npool between pw.x run >> and >> later >> two ph.x runs, right? Taking AlAs in the GRID_example as example, If I >> want >> to use >> server with 8 CPU core to do calculations for each one q point (8 servers >> in >> total), >> what are the values of images and pools? >> >> > You are right, the explanation refer only to the case > wf_collect=.false.. However, image parallelization of ph.x is very > experimental, so be patient. At the moment it divides both q and irreps. > Load balancing on q only is not implemented. > > > Andrea > > > >> Huiqun Zhou >> @Earth Sciences, Nanjing University, China >> >> ----- Original Message ----- >> From: "Dal Corso Andrea" <dalcorso at sissa.it> >> To: "PWSCF Forum" <pw_forum at pwscf.org> >> Sent: Tuesday, July 06, 2010 4:14 PM >> Subject: Re: [Pw_forum] Distributing phonon calculations todifferent >> machines >> >> >> > On Tue, 2010-07-06 at 12:13 +0800, Huiqun Zhou wrote: >> >> Sorry, I sent an unfinished message. >> >> >> >> When using _ph0{prefix}.phsave, I got the error message shown in the >> >> previous >> >> message. >> >> >> >> Here is the snippet of my script for distributing lsf tasks: >> >> >> >> ...... >> >> nq=`sed -n '2p' ./${system}_q${nq1}${nq2}${nq3}.dyn0` >> >> >> >> for ((i=1; i<=$nq; i++)) >> >> do >> >> if test ! -d $TMP_DIR/${system}/q${i} ; then >> >> mkdir $TMP_DIR/${system}/q${i} >> >> cp -r $TMP_DIR/${system}/${system}.* $TMP_DIR/${system}/q${i} >> >> fi >> >> if test ! -d $TMP_DIR/${system}/q${i}/_ph0${system}.phsave ; then >> >> mkdir $TMP_DIR/${system}/q${i}/_ph0${system}.phsave >> >> cp -r $TMP_DIR/${system}/_ph0${system}.phsave/* >> >> $TMP_DIR/${system}/q${i}/_ph0${system}.phsave >> >> fi >> >> done >> >> >> >> for ((i=1; i<=$nq; i++)) >> >> do >> >> cat > ${system}_q${i}.in << EOF >> >> phonons of ${system} >> >> &inputph >> >> tr2_ph = 1.0d-13, >> >> alpha_mix(1) = 0.2, >> >> prefix = '${system}', >> >> ldisp = .true., >> >> recover = .true. >> >> nq1 = ${nq1}, nq2 = ${nq2}, nq3 = ${nq3} >> >> start_q = $i, last_q = $i >> >> outdir = '$TMP_DIR/${system}/q${i}', >> >> fildyn = '${system}_q${nq1}${nq2}${nq3}.dyn' >> >> ...... >> >> EOF >> >> $ECHO "calculation of q point $i" >> >> bsub -a intelmpi -n $processes \ >> >> -R "span[ptile=8]" \ >> >> -J ${r}q${i}anda \ >> >> -oo ${system}_q${i}.out \ >> >> -eo ${system}_q${i}.err \ >> >> $PH_COMMAND -input ./${system}_q${i}.in >> >> done >> >> >> >> >> >> Huiqun Zhou >> >> @Earth Sciences, Nanjing University, China >> >> ----- Original Message ----- >> >> From: Huiqun Zhou >> >> To: pw_forum at pwscf.org >> >> Sent: Tuesday, July 06, 2010 12:00 PM >> >> Subject: [Pw_forum] Distributing phonon calculations to >> >> different machines >> >> >> >> >> >> dear developers, >> >> >> >> Please clarify what directory should be copied >> >> for distributing phonon calculations >> >> to different machines, _ph{prefix}.phsave >> >> or _ph0{prefix}.phsave? The former is >> >> described in the manual INPUT_PH.html, the latter is used in >> >> the GRID_example. >> >> Although there is no _ph{prefix}.phsave existed after the >> >> preparatory run with >> >> start_irr=0 and last_irr=0, using the former works OK at the >> >> cost of redundant >> >> calculations. >> >> >> >> Representation # 1 mode # 1 >> >> >> >> Self-consistent Calculation >> >> >> >> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% >> >> %%%%%%%%%%%%%%%%% >> >> from davcio : error # 25 >> >> error while reading from file >> >> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% >> >> %%%%%%%%%%%%%%%%% >> >> >> >> stopping ... >> > >> > Thank you for the message. I will correct the INPUT_PH documentation. >> > The correct directory is _ph0{prefix}.phsave. >> > >> > This message usually means that you have not copied all the required >> > files. Did you copy all the files produced by pw.x? >> > >> > HTH, >> > >> > Andrea >> > >> > >> > >> >> >> >> ______________________________________________________________ >> >> >> >> _______________________________________________ >> >> Pw_forum mailing list >> >> Pw_forum at pwscf.org >> >> http://www.democritos.it/mailman/listinfo/pw_forum >> >> _______________________________________________ >> >> Pw_forum mailing list >> >> Pw_forum at pwscf.org >> >> http://www.democritos.it/mailman/listinfo/pw_forum >> > -- >> > Andrea Dal Corso Tel. 0039-040-3787428 >> > SISSA, Via Beirut 2/4 Fax. 0039-040-3787528 >> > 34151 Trieste (Italy) e-mail: dalcorso at sissa.it >> > >> > >> > _______________________________________________ >> > Pw_forum mailing list >> > Pw_forum at pwscf.org >> > http://www.democritos.it/mailman/listinfo/pw_forum >> > >> >> >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum at pwscf.org >> http://www.democritos.it/mailman/listinfo/pw_forum > -- > Andrea Dal Corso Tel. 0039-040-3787428 > SISSA, Via Beirut 2/4 Fax. 0039-040-3787528 > 34151 Trieste (Italy) e-mail: dalcorso at sissa.it > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum >
