<DIV>Thank you very much Lorenzo&nbsp;Paulatto and Gabriele&nbsp;Sclauzero&nbsp;.</DIV>
<DIV>&nbsp;</DIV>
<DIV>The problem was solved ,because I specified&nbsp;&nbsp;same&nbsp;&nbsp;prefix&nbsp;for&nbsp;the&nbsp;two&nbsp;tasks .</DIV>
<DIV>But another problem turn up&nbsp;. When I use R &amp; G space division run the task ,it was interrupted at the 2 iteration of 18 time of vc-relax and turns up as following :</DIV>
<DIV>&nbsp;</DIV>
<DIV>forrtl: severe (174): SIGSEGV, segmentation fault occurred<BR>Image&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; PC&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; Routine&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; Line&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; Source&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; <BR>pw.x&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 40000000005D8710&nbsp; Unknown&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; Unknown&nbsp; <BR>Unknown<BR>pw.x&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 40000000005D8BF0&nbsp; Unknown&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; Unknown&nbsp; <BR>Unknown<BR>pw.x&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 40000000005F4A40&nbsp; Unknown&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; Unknown&nbsp; <BR>Unknown<BR>pw.x&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 400000000003C740&nbsp; Unknown&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; Unknown&nbsp; <BR><BR>I use 1 node(8 CPUs) on the cluster . I am puzzled by the phenomena ,please give me some advice about this&nbsp;problem ,thank you .&nbsp;<BR><BR>--<BR></DIV>
<DIV>
<DIV>Best regards</DIV>
<DIV>&nbsp;</DIV>
<DIV>Q.J.Wang</DIV>
<DIV>&nbsp;</DIV>
<DIV>XiangTan University </DIV></DIV><BR><PRE>在2009-09-25&nbsp;22:26:04，pw_forum-request@pwscf.org&nbsp;写道：
&gt;Send&nbsp;Pw_forum&nbsp;mailing&nbsp;list&nbsp;submissions&nbsp;to
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&gt;
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&gt;
&gt;When&nbsp;replying,&nbsp;please&nbsp;edit&nbsp;your&nbsp;Subject&nbsp;line&nbsp;so&nbsp;it&nbsp;is&nbsp;more&nbsp;specific
&gt;than&nbsp;"Re:&nbsp;Contents&nbsp;of&nbsp;Pw_forum&nbsp;digest..."
&gt;
&gt;
&gt;Today's&nbsp;Topics:
&gt;
&gt;&nbsp;&nbsp;&nbsp;1.&nbsp;Re:&nbsp;problem&nbsp;in&nbsp;phonon&nbsp;in&nbsp;prallel&nbsp;(dev&nbsp;sharma)
&gt;&nbsp;&nbsp;&nbsp;2.&nbsp;Re:&nbsp;problem&nbsp;in&nbsp;phonon&nbsp;in&nbsp;prallel&nbsp;(Paolo&nbsp;Giannozzi)
&gt;&nbsp;&nbsp;&nbsp;3.&nbsp;Running&nbsp;on&nbsp;cluster&nbsp;often&nbsp;turn&nbsp;up&nbsp;(Q.J.Wang)
&gt;&nbsp;&nbsp;&nbsp;4.&nbsp;Re:&nbsp;Running&nbsp;on&nbsp;cluster&nbsp;often&nbsp;turn&nbsp;up&nbsp;(Giovanni&nbsp;Cantele)
&gt;&nbsp;&nbsp;&nbsp;5.&nbsp;about&nbsp;OMP_NUM_THREADS&nbsp;(Q.J.Wang)
&gt;&nbsp;&nbsp;&nbsp;6.&nbsp;Re:&nbsp;about&nbsp;OMP_NUM_THREADS&nbsp;(Lorenzo&nbsp;Paulatto)
&gt;&nbsp;&nbsp;&nbsp;7.&nbsp;Re:&nbsp;about&nbsp;OMP_NUM_THREADS&nbsp;(Gabriele&nbsp;Sclauzero)
&gt;&nbsp;&nbsp;&nbsp;8.&nbsp;About&nbsp;example&nbsp;22&nbsp;(xirainbow)
&gt;
&gt;
&gt;----------------------------------------------------------------------
&gt;
&gt;Message:&nbsp;1
&gt;Date:&nbsp;Fri,&nbsp;25&nbsp;Sep&nbsp;2009&nbsp;13:46:44&nbsp;+0530
&gt;From:&nbsp;dev&nbsp;sharma&nbsp;&lt;decboy9@gmail.com&gt;
&gt;Subject:&nbsp;Re:&nbsp;[Pw_forum]&nbsp;problem&nbsp;in&nbsp;phonon&nbsp;in&nbsp;prallel
&gt;To:&nbsp;PWSCF&nbsp;Forum&nbsp;&lt;pw_forum@pwscf.org&gt;
&gt;Message-ID:
&gt;        &lt;a591fe200909250116g7a121b6ave4460eadd70c179f@mail.gmail.com&gt;
&gt;Content-Type:&nbsp;text/plain;&nbsp;charset="iso-8859-1"
&gt;
&gt;Hi,
&gt;
&gt;&nbsp;when&nbsp;i&nbsp;am&nbsp;running&nbsp;the&nbsp;same&nbsp;file&nbsp;with&nbsp;the&nbsp;following&nbsp;inputs&nbsp;,&nbsp;it&nbsp;is&nbsp;running
&gt;well
&gt;
&gt;phonons&nbsp;at&nbsp;gamma
&gt;&nbsp;&amp;inputph
&gt;&nbsp;&nbsp;tr2_ph=1.0e-10,
&gt;&nbsp;&nbsp;prefix='yvo',
&gt;&nbsp;&nbsp;trans=.false.,
&gt;&nbsp;&nbsp;epsil=.true.,
&gt;&nbsp;&nbsp;amass(1)=&nbsp;44.995,
&gt;&nbsp;&nbsp;amass(2)=&nbsp;50.9415,
&gt;&nbsp;&nbsp;amass(3)=15.9994,
&gt;&nbsp;&nbsp;outdir&nbsp;=&nbsp;'/home/devsharma/work/newscvo/temp',
&gt;&nbsp;&nbsp;fildyn='yvo.dyn1',
&gt;&nbsp;/
&gt;0.0&nbsp;0.0&nbsp;0.0
&gt;
&gt;means&nbsp;there&nbsp;is&nbsp;some&nbsp;problem&nbsp;in&nbsp;inputs.&nbsp;Any&nbsp;comment&nbsp;on&nbsp;the&nbsp;extra&nbsp;parameters&nbsp;i
&gt;gave&nbsp;in&nbsp;previous&nbsp;file&nbsp;i.e.&nbsp;fpol&nbsp;and&nbsp;elop.
&gt;
&gt;Thanks
&gt;sincerly,
&gt;Dev&nbsp;Sharma,
&gt;University&nbsp;&nbsp;of&nbsp;Delhi,
&gt;~
&gt;
&gt;
&gt;~
&gt;On&nbsp;Fri,&nbsp;Sep&nbsp;25,&nbsp;2009&nbsp;at&nbsp;11:03&nbsp;AM,&nbsp;dev&nbsp;sharma&nbsp;&lt;decboy9@gmail.com&gt;&nbsp;wrote:
&gt;
&gt;&gt;&nbsp;hi&nbsp;2&nbsp;all,
&gt;&gt;&nbsp;&nbsp;i&nbsp;have&nbsp;done&nbsp;scf&nbsp;,&nbsp;phonon&nbsp;&nbsp;and&nbsp;the&nbsp;running&nbsp;ph.x&nbsp;in&nbsp;parallel&nbsp;for&nbsp;some
&gt;&gt;&nbsp;optical&nbsp;properties.&nbsp;my&nbsp;programme&nbsp;stops&nbsp;without&nbsp;giving&nbsp;any&nbsp;error&nbsp;in&nbsp;the
&gt;&gt;&nbsp;ph.out&nbsp;file&nbsp;and&nbsp;without&nbsp;any&nbsp;CRASH.&nbsp;My&nbsp;input&nbsp;file&nbsp;is&nbsp;listed&nbsp;below.&nbsp;Please
&gt;&gt;&nbsp;help.
&gt;&gt;&nbsp;Thanks&nbsp;in&nbsp;advance.
&gt;&gt;&nbsp;phonons&nbsp;at&nbsp;gamma
&gt;&gt;&nbsp;&nbsp;&amp;inputph
&gt;&gt;&nbsp;&nbsp;&nbsp;tr2_ph=1.0e-10,
&gt;&gt;&nbsp;&nbsp;&nbsp;prefix='yvo',
&gt;&gt;&nbsp;&nbsp;&nbsp;&nbsp;fpol=.true.,
&gt;&gt;&nbsp;&nbsp;&nbsp;&nbsp;trans=.false.,
&gt;&gt;&nbsp;&nbsp;&nbsp;epsil=.true.,
&gt;&gt;&nbsp;&nbsp;&nbsp;elop=.true.,
&gt;&gt;&nbsp;&nbsp;&nbsp;amass(1)=&nbsp;44.995,
&gt;&gt;&nbsp;&nbsp;&nbsp;amass(2)=&nbsp;50.9415,
&gt;&gt;&nbsp;&nbsp;&nbsp;amass(3)=15.9994,
&gt;&gt;&nbsp;&nbsp;&nbsp;outdir&nbsp;=&nbsp;'/home/devsharma/work/newscvo/temp',
&gt;&gt;&nbsp;&nbsp;&nbsp;fildyn='yvo.dyn1',
&gt;&gt;&nbsp;&nbsp;/
&gt;&gt;&nbsp;0.0&nbsp;0.0&nbsp;0.0
&gt;&gt;
&gt;&gt;&nbsp;FREQUENCIES
&gt;&gt;&nbsp;65
&gt;&gt;&nbsp;7.889e+14
&gt;&gt;&nbsp;/
&gt;&gt;&nbsp;/
&gt;&gt;&nbsp;4.389e+14
&gt;&gt;
&gt;&gt;&nbsp;and&nbsp;mssg&nbsp;in&nbsp;terminal&nbsp;is&nbsp;coming
&gt;&gt;
&gt;&gt;&nbsp;[devsharma@headnode&nbsp;newscvo]$&nbsp;[headnode.du.ac.in:6309]&nbsp;***&nbsp;An&nbsp;error
&gt;&gt;&nbsp;occurred&nbsp;in&nbsp;MPI_Allreduce
&gt;&gt;&nbsp;[headnode.du.ac.in:6309]&nbsp;***&nbsp;on&nbsp;communicator&nbsp;MPI&nbsp;COMMUNICATOR&nbsp;28&nbsp;SPLIT
&gt;&gt;&nbsp;FROM&nbsp;4
&gt;&gt;&nbsp;[headnode.du.ac.in:6309]&nbsp;***&nbsp;MPI_ERR_TRUNCATE:&nbsp;message&nbsp;truncated
&gt;&gt;&nbsp;[headnode.du.ac.in:6309]&nbsp;***&nbsp;MPI_ERRORS_ARE_FATAL&nbsp;(your&nbsp;MPI&nbsp;job&nbsp;will&nbsp;now
&gt;&gt;&nbsp;abort)
&gt;&gt;&nbsp;--------------------------------------------------------------------------
&gt;&gt;&nbsp;mpirun&nbsp;has&nbsp;exited&nbsp;due&nbsp;to&nbsp;process&nbsp;rank&nbsp;1&nbsp;with&nbsp;PID&nbsp;6309&nbsp;on
&gt;&gt;&nbsp;node&nbsp;headnode.du.ac.in&nbsp;exiting&nbsp;without&nbsp;calling&nbsp;"finalize".&nbsp;This&nbsp;may
&gt;&gt;&nbsp;have&nbsp;caused&nbsp;other&nbsp;processes&nbsp;in&nbsp;the&nbsp;application&nbsp;to&nbsp;be
&gt;&gt;&nbsp;terminated&nbsp;by&nbsp;signals&nbsp;sent&nbsp;by&nbsp;mpirun&nbsp;(as&nbsp;reported&nbsp;here).
&gt;&gt;
&gt;&gt;&nbsp;----------------------------------------------------------
&gt;&gt;&nbsp;and&nbsp;the&nbsp;output&nbsp;file&nbsp;runs&nbsp;upto
&gt;&gt;
&gt;&gt;
&gt;&gt;&nbsp;&nbsp;Representation&nbsp;&nbsp;&nbsp;&nbsp;52&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;1&nbsp;modes&nbsp;-&nbsp;To&nbsp;be&nbsp;done
&gt;&gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;PHONON&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;:&nbsp;&nbsp;0m41.95s&nbsp;CPU&nbsp;time,&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;2m31.11s&nbsp;wall&nbsp;time
&gt;&gt;
&gt;&gt;
&gt;&gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;Alpha&nbsp;used&nbsp;in&nbsp;Ewald&nbsp;sum&nbsp;=&nbsp;&nbsp;&nbsp;1.0000
&gt;&gt;
&gt;&gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;Frequency&nbsp;Dependent&nbsp;Polarizability&nbsp;Calculation
&gt;&gt;
&gt;&gt;&nbsp;and&nbsp;after&nbsp;here&nbsp;it&nbsp;stops.
&gt;&gt;
&gt;&gt;
&gt;&gt;&nbsp;Please&nbsp;help,
&gt;&gt;
&gt;&gt;&nbsp;sincerly,
&gt;&gt;&nbsp;Dev&nbsp;Sharma,
&gt;&gt;&nbsp;Univeristy&nbsp;of&nbsp;Delhi
&gt;&gt;
&gt;&gt;
&gt;&gt;
&gt;--------------&nbsp;next&nbsp;part&nbsp;--------------
&gt;An&nbsp;HTML&nbsp;attachment&nbsp;was&nbsp;scrubbed...
&gt;URL:&nbsp;http://www.democritos.it/pipermail/pw_forum/attachments/20090925/270ab22b/attachment-0001.htm&nbsp;
&gt;
&gt;------------------------------
&gt;
&gt;Message:&nbsp;2
&gt;Date:&nbsp;Fri,&nbsp;25&nbsp;Sep&nbsp;2009&nbsp;10:18:39&nbsp;+0200
&gt;From:&nbsp;Paolo&nbsp;Giannozzi&nbsp;&lt;giannozz@democritos.it&gt;
&gt;Subject:&nbsp;Re:&nbsp;[Pw_forum]&nbsp;problem&nbsp;in&nbsp;phonon&nbsp;in&nbsp;prallel
&gt;To:&nbsp;PWSCF&nbsp;Forum&nbsp;&lt;pw_forum@pwscf.org&gt;
&gt;Message-ID:&nbsp;&lt;4ABC7CDF.2050209@democritos.it&gt;
&gt;Content-Type:&nbsp;text/plain;&nbsp;charset=ISO-8859-1;&nbsp;format=flowed
&gt;
&gt;dev&nbsp;sharma&nbsp;wrote:
&gt;
&gt;&gt;&nbsp;Any&nbsp;comment&nbsp;on&nbsp;the&nbsp;extra&nbsp;
&gt;&gt;&nbsp;parameters&nbsp;i&nbsp;gave&nbsp;in&nbsp;previous&nbsp;file&nbsp;i.e.&nbsp;fpol&nbsp;and&nbsp;elop.
&gt;
&gt;don't&nbsp;give&nbsp;any&nbsp;extra&nbsp;parameters&nbsp;unless&nbsp;you&nbsp;know&nbsp;what&nbsp;they&nbsp;do,
&gt;and&nbsp;unless&nbsp;you&nbsp;need&nbsp;them
&gt;
&gt;P.
&gt;--&nbsp;
&gt;Paolo&nbsp;Giannozzi,&nbsp;Democritos&nbsp;and&nbsp;University&nbsp;of&nbsp;Udine,&nbsp;Italy
&gt;
&gt;
&gt;------------------------------
&gt;
&gt;Message:&nbsp;3
&gt;Date:&nbsp;Fri,&nbsp;25&nbsp;Sep&nbsp;2009&nbsp;21:02:50&nbsp;+0800&nbsp;(CST)
&gt;From:&nbsp;"Q.J.Wang"&nbsp;&lt;wangqj1@126.com&gt;
&gt;Subject:&nbsp;[Pw_forum]&nbsp;Running&nbsp;on&nbsp;cluster&nbsp;often&nbsp;turn&nbsp;up
&gt;To:&nbsp;pw_forum&nbsp;&lt;pw_forum@pwscf.org&gt;
&gt;Message-ID:
&gt;        &lt;10083410.509721253883770555.JavaMail.coremail@bj126app104.126.com&gt;
&gt;Content-Type:&nbsp;text/plain;&nbsp;charset="gbk"
&gt;
&gt;Dear&nbsp;all
&gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;When&nbsp;I&nbsp;running&nbsp;on&nbsp;cluster&nbsp;,it&nbsp;often&nbsp;turn&nbsp;up&nbsp;some&nbsp;bizarre&nbsp;errors&nbsp;,which&nbsp;not&nbsp;turn&nbsp;up&nbsp;ong&nbsp;single&nbsp;computer&nbsp;.I&nbsp;don't&nbsp;know&nbsp;why&nbsp;.Whether&nbsp;is&nbsp;it&nbsp;because&nbsp;the&nbsp;computing&nbsp;environment&nbsp;settings&nbsp;?&nbsp;I&nbsp;don'&nbsp;know&nbsp;how&nbsp;to&nbsp;do&nbsp;.Plese&nbsp;help&nbsp;me&nbsp;.
&gt;
&gt;--
&gt;
&gt;Best&nbsp;regards
&gt;&nbsp;
&gt;Q.J.Wang
&gt;&nbsp;
&gt;XiangTan&nbsp;University&nbsp;
&gt;--------------&nbsp;next&nbsp;part&nbsp;--------------
&gt;An&nbsp;HTML&nbsp;attachment&nbsp;was&nbsp;scrubbed...
&gt;URL:&nbsp;http://www.democritos.it/pipermail/pw_forum/attachments/20090925/9b5d0c9e/attachment-0001.htm&nbsp;
&gt;
&gt;------------------------------
&gt;
&gt;Message:&nbsp;4
&gt;Date:&nbsp;Fri,&nbsp;25&nbsp;Sep&nbsp;2009&nbsp;15:08:14&nbsp;+0200
&gt;From:&nbsp;Giovanni&nbsp;Cantele&nbsp;&lt;Giovanni.Cantele@na.infn.it&gt;
&gt;Subject:&nbsp;Re:&nbsp;[Pw_forum]&nbsp;Running&nbsp;on&nbsp;cluster&nbsp;often&nbsp;turn&nbsp;up
&gt;To:&nbsp;PWSCF&nbsp;Forum&nbsp;&lt;pw_forum@pwscf.org&gt;
&gt;Message-ID:&nbsp;&lt;4ABCC0BE.40302@na.infn.it&gt;
&gt;Content-Type:&nbsp;text/plain;&nbsp;charset=x-gbk;&nbsp;format=flowed
&gt;
&gt;Q.J.Wang&nbsp;wrote:
&gt;&gt;&nbsp;Dear&nbsp;all
&gt;&gt;&nbsp;When&nbsp;I&nbsp;running&nbsp;on&nbsp;cluster&nbsp;,it&nbsp;often&nbsp;turn&nbsp;up&nbsp;some&nbsp;bizarre&nbsp;errors&nbsp;,which&nbsp;
&gt;&gt;&nbsp;not&nbsp;turn&nbsp;up&nbsp;ong&nbsp;single&nbsp;computer&nbsp;.I&nbsp;don't&nbsp;know&nbsp;why&nbsp;.Whether&nbsp;is&nbsp;it&nbsp;
&gt;&gt;&nbsp;because&nbsp;the&nbsp;computing&nbsp;environment&nbsp;settings&nbsp;?&nbsp;I&nbsp;don'&nbsp;know&nbsp;how&nbsp;to&nbsp;do&nbsp;
&gt;&gt;&nbsp;.Plese&nbsp;help&nbsp;me&nbsp;.
&gt;&gt;
&gt;Well,&nbsp;I&nbsp;think&nbsp;that&nbsp;it&nbsp;will&nbsp;be&nbsp;rather&nbsp;difficult&nbsp;for&nbsp;anybody&nbsp;to&nbsp;answer&nbsp;
&gt;unless&nbsp;you&nbsp;provide&nbsp;much&nbsp;more
&gt;extensive&nbsp;information&nbsp;than&nbsp;you&nbsp;did.
&gt;
&gt;Which&nbsp;kind&nbsp;of&nbsp;errors?&nbsp;Parallel&nbsp;or&nbsp;serial&nbsp;runs?
&gt;
&gt;Some&nbsp;issues&nbsp;might&nbsp;be&nbsp;related&nbsp;to&nbsp;your&nbsp;cluster&nbsp;configuration&nbsp;/&nbsp;hardware&nbsp;/&nbsp;
&gt;software&nbsp;rather&nbsp;than&nbsp;to&nbsp;the&nbsp;Quantum-ESPRESSO.
&gt;
&gt;You&nbsp;can&nbsp;also&nbsp;try&nbsp;to&nbsp;search&nbsp;the&nbsp;forum&nbsp;to&nbsp;find&nbsp;if&nbsp;some&nbsp;of&nbsp;these&nbsp;errors&nbsp;
&gt;have&nbsp;been&nbsp;ever&nbsp;discussed&nbsp;before.
&gt;
&gt;Giovanni
&gt;
&gt;--&nbsp;
&gt;
&gt;
&gt;
&gt;Dr.&nbsp;Giovanni&nbsp;Cantele
&gt;Coherentia&nbsp;CNR-INFM&nbsp;and&nbsp;Dipartimento&nbsp;di&nbsp;Scienze&nbsp;Fisiche
&gt;Universita'&nbsp;di&nbsp;Napoli&nbsp;"Federico&nbsp;II"
&gt;Complesso&nbsp;Universitario&nbsp;di&nbsp;Monte&nbsp;S.&nbsp;Angelo&nbsp;-&nbsp;Ed.&nbsp;6
&gt;Via&nbsp;Cintia,&nbsp;I-80126,&nbsp;Napoli,&nbsp;Italy
&gt;Phone:&nbsp;+39&nbsp;081&nbsp;676910
&gt;Fax:&nbsp;&nbsp;&nbsp;+39&nbsp;081&nbsp;676346
&gt;E-mail:&nbsp;giovanni.cantele@cnr.it
&gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;giovanni.cantele@na.infn.it
&gt;Web:&nbsp;http://people.na.infn.it/~cantele
&gt;Research&nbsp;Group:&nbsp;http://www.nanomat.unina.it
&gt;Skype&nbsp;contact:&nbsp;giocan74
&gt;
&gt;
&gt;
&gt;------------------------------
&gt;
&gt;Message:&nbsp;5
&gt;Date:&nbsp;Fri,&nbsp;25&nbsp;Sep&nbsp;2009&nbsp;21:41:03&nbsp;+0800&nbsp;(CST)
&gt;From:&nbsp;"Q.J.Wang"&nbsp;&lt;wangqj1@126.com&gt;
&gt;Subject:&nbsp;[Pw_forum]&nbsp;about&nbsp;OMP_NUM_THREADS
&gt;To:&nbsp;pw_forum&nbsp;&lt;pw_forum@pwscf.org&gt;
&gt;Message-ID:
&gt;        &lt;12872053.521841253886063499.JavaMail.coremail@bj126app104.126.com&gt;
&gt;Content-Type:&nbsp;text/plain;&nbsp;charset="gbk"
&gt;
&gt;Dear&nbsp;all
&gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;According&nbsp;to&nbsp;the&nbsp;advice&nbsp;of&nbsp;the&nbsp;forum,I&nbsp;added&nbsp;OMP_NUM_THREADS=1&nbsp;in&nbsp;my&nbsp;PBS&nbsp;script&nbsp;.But&nbsp;I&nbsp;can&nbsp;only&nbsp;run&nbsp;a&nbsp;task&nbsp;on&nbsp;the&nbsp;cluster&nbsp;.When&nbsp;one&nbsp;was&nbsp;running&nbsp;,I&nbsp;run&nbsp;another&nbsp;task&nbsp;,and&nbsp;one&nbsp;of&nbsp;them&nbsp;will&nbsp;turn&nbsp;up&nbsp;error&nbsp;and&nbsp;stop&nbsp;.
&gt;
&gt;
&gt;
&gt;--
&gt;
&gt;Best&nbsp;regards
&gt;&nbsp;
&gt;Q.J.Wang
&gt;&nbsp;
&gt;XiangTan&nbsp;University&nbsp;
&gt;--------------&nbsp;next&nbsp;part&nbsp;--------------
&gt;An&nbsp;HTML&nbsp;attachment&nbsp;was&nbsp;scrubbed...
&gt;URL:&nbsp;http://www.democritos.it/pipermail/pw_forum/attachments/20090925/1089ca3e/attachment-0001.htm&nbsp;
&gt;
&gt;------------------------------
&gt;
&gt;Message:&nbsp;6
&gt;Date:&nbsp;Fri,&nbsp;25&nbsp;Sep&nbsp;2009&nbsp;15:45:13&nbsp;+0200
&gt;From:&nbsp;"Lorenzo&nbsp;Paulatto"&nbsp;&lt;paulatto@sissa.it&gt;
&gt;Subject:&nbsp;Re:&nbsp;[Pw_forum]&nbsp;about&nbsp;OMP_NUM_THREADS
&gt;To:&nbsp;"PWSCF&nbsp;Forum"&nbsp;&lt;pw_forum@pwscf.org&gt;
&gt;Message-ID:&nbsp;&lt;op.u0te5nn5a8x26q@paulax&gt;
&gt;Content-Type:&nbsp;text/plain;&nbsp;charset=utf-8;&nbsp;format=flowed;&nbsp;delsp=yes
&gt;
&gt;In&nbsp;data&nbsp;25&nbsp;settembre&nbsp;2009&nbsp;alle&nbsp;ore&nbsp;15:41:03,&nbsp;Q.J.Wang&nbsp;&lt;wangqj1@126.com&gt;&nbsp;ha&nbsp;&nbsp;
&gt;scritto:
&gt;&gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;According&nbsp;to&nbsp;the&nbsp;advice&nbsp;of&nbsp;the&nbsp;forum,I&nbsp;added&nbsp;OMP_NUM_THREADS=1&nbsp;in&nbsp;&nbsp;
&gt;&gt;&nbsp;my&nbsp;PBS&nbsp;script&nbsp;.But&nbsp;I&nbsp;can&nbsp;only&nbsp;run&nbsp;a&nbsp;task&nbsp;on&nbsp;the&nbsp;cluster&nbsp;.When&nbsp;one&nbsp;was&nbsp;&nbsp;
&gt;&gt;&nbsp;running&nbsp;,I&nbsp;run&nbsp;another&nbsp;task&nbsp;,and&nbsp;one&nbsp;of&nbsp;them&nbsp;will&nbsp;turn&nbsp;up&nbsp;error&nbsp;and&nbsp;stop
&gt;
&gt;Dear&nbsp;Q.J.&nbsp;Wang,
&gt;as&nbsp;usual,&nbsp;you&nbsp;MUST&nbsp;provide&nbsp;the&nbsp;error&nbsp;message&nbsp;and&nbsp;as&nbsp;many&nbsp;details&nbsp;as&nbsp;&nbsp;
&gt;possible&nbsp;on&nbsp;how&nbsp;you&nbsp;run&nbsp;the&nbsp;job,&nbsp;there&nbsp;is&nbsp;very&nbsp;little&nbsp;we&nbsp;can&nbsp;say&nbsp;about&nbsp;you&nbsp;&nbsp;
&gt;problem&nbsp;with&nbsp;any&nbsp;information.
&gt;
&gt;To&nbsp;begin&nbsp;you&nbsp;should&nbsp;check&nbsp;that&nbsp;the&nbsp;jobs&nbsp;do&nbsp;not&nbsp;have&nbsp;the&nbsp;same&nbsp;prefix&nbsp;and&nbsp;&nbsp;
&gt;outdir,&nbsp;if&nbsp;it&nbsp;is&nbsp;the&nbsp;case&nbsp;they&nbsp;will&nbsp;crash&nbsp;after&nbsp;a&nbsp;while.
&gt;
&gt;best&nbsp;regards
&gt;
&gt;
&gt;--&nbsp;
&gt;Lorenzo&nbsp;Paulatto
&gt;SISSA&nbsp;&nbsp;&amp;&nbsp;&nbsp;DEMOCRITOS&nbsp;(Trieste)
&gt;phone:&nbsp;+39&nbsp;040&nbsp;3787&nbsp;511
&gt;skype:&nbsp;paulatz
&gt;www:&nbsp;&nbsp;&nbsp;http://people.sissa.it/~paulatto/
&gt;
&gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;***&nbsp;save&nbsp;italian&nbsp;brains&nbsp;***
&gt;&nbsp;&nbsp;http://saveitalianbrains.wordpress.com/
&gt;
&gt;
&gt;------------------------------
&gt;
&gt;Message:&nbsp;7
&gt;Date:&nbsp;Fri,&nbsp;25&nbsp;Sep&nbsp;2009&nbsp;15:45:54&nbsp;+0200
&gt;From:&nbsp;Gabriele&nbsp;Sclauzero&nbsp;&lt;sclauzer@sissa.it&gt;
&gt;Subject:&nbsp;Re:&nbsp;[Pw_forum]&nbsp;about&nbsp;OMP_NUM_THREADS
&gt;To:&nbsp;PWSCF&nbsp;Forum&nbsp;&lt;pw_forum@pwscf.org&gt;
&gt;Message-ID:&nbsp;&lt;4ABCC992.30009@sissa.it&gt;
&gt;Content-Type:&nbsp;text/plain;&nbsp;charset=UTF-8;&nbsp;format=flowed
&gt;
&gt;Q.J.Wang&nbsp;wrote:
&gt;&gt;&nbsp;Dear&nbsp;all
&gt;&gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;According&nbsp;to&nbsp;the&nbsp;advice&nbsp;of&nbsp;the&nbsp;forum,I&nbsp;added&nbsp;OMP_NUM_THREADS=1&nbsp;in&nbsp;
&gt;&gt;&nbsp;my&nbsp;PBS&nbsp;script&nbsp;.But&nbsp;I&nbsp;can&nbsp;only&nbsp;run&nbsp;a&nbsp;task&nbsp;on&nbsp;the&nbsp;cluster&nbsp;.When&nbsp;one&nbsp;was&nbsp;
&gt;&gt;&nbsp;running&nbsp;,I&nbsp;run&nbsp;another&nbsp;task&nbsp;,and&nbsp;one&nbsp;of&nbsp;them&nbsp;will&nbsp;turn&nbsp;up&nbsp;error&nbsp;and&nbsp;stop&nbsp;.
&gt;
&gt;Have&nbsp;you&nbsp;specified&nbsp;different&nbsp;outdir&nbsp;and/or&nbsp;prefix&nbsp;for&nbsp;the&nbsp;two&nbsp;tasks?
&gt;Have&nbsp;you&nbsp;checked&nbsp;that&nbsp;you&nbsp;have&nbsp;enough&nbsp;memory&nbsp;on&nbsp;a&nbsp;node&nbsp;to&nbsp;run&nbsp;two&nbsp;pw.x&nbsp;runs?
&gt;...?
&gt;
&gt;GS
&gt;
&gt;
&gt;&gt;&nbsp;
&gt;&gt;&nbsp;
&gt;&gt;&nbsp;--
&gt;&gt;&nbsp;Best&nbsp;regards
&gt;&gt;&nbsp;&nbsp;
&gt;&gt;&nbsp;Q.J.Wang
&gt;&gt;&nbsp;&nbsp;
&gt;&gt;&nbsp;XiangTan&nbsp;University
&gt;&gt;&nbsp;
&gt;&gt;&nbsp;
&gt;&gt;&nbsp;------------------------------------------------------------------------
&gt;&gt;&nbsp;"????",????60???&nbsp;
&gt;&gt;&nbsp;&lt;http://news.163.com/madeinchina/index.html?from=mailfooter&gt;
&gt;&gt;&nbsp;
&gt;&gt;&nbsp;
&gt;&gt;&nbsp;------------------------------------------------------------------------
&gt;&gt;&nbsp;
&gt;&gt;&nbsp;_______________________________________________
&gt;&gt;&nbsp;Pw_forum&nbsp;mailing&nbsp;list
&gt;&gt;&nbsp;Pw_forum@pwscf.org
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&gt;
&gt;--&nbsp;
&gt;
&gt;
&gt;o&nbsp;------------------------------------------------&nbsp;o
&gt;|&nbsp;Gabriele&nbsp;Sclauzero,&nbsp;PhD&nbsp;Student&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;|
&gt;|&nbsp;c/o:&nbsp;&nbsp;&nbsp;SISSA&nbsp;&amp;&nbsp;CNR-INFM&nbsp;Democritos,&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;|
&gt;|&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;via&nbsp;Beirut&nbsp;2-4,&nbsp;34014&nbsp;Trieste&nbsp;(Italy)&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;|
&gt;|&nbsp;email:&nbsp;sclauzer@sissa.it&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;|
&gt;|&nbsp;phone:&nbsp;+39&nbsp;040&nbsp;3787&nbsp;511&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;|
&gt;|&nbsp;skype:&nbsp;gurlonotturno&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;|
&gt;o&nbsp;------------------------------------------------&nbsp;o
&gt;
&gt;
&gt;------------------------------
&gt;
&gt;Message:&nbsp;8
&gt;Date:&nbsp;Fri,&nbsp;25&nbsp;Sep&nbsp;2009&nbsp;14:25:37&nbsp;+0000
&gt;From:&nbsp;xirainbow&nbsp;&lt;nkxirainbow@gmail.com&gt;
&gt;Subject:&nbsp;[Pw_forum]&nbsp;About&nbsp;example&nbsp;22
&gt;To:&nbsp;pw_forum@pwscf.org
&gt;Message-ID:
&gt;        &lt;21fbc4790909250725r70d71cc3i3d271a58c4e382d2@mail.gmail.com&gt;
&gt;Content-Type:&nbsp;text/plain;&nbsp;charset="iso-8859-1"
&gt;
&gt;Dear&nbsp;developers:
&gt;There&nbsp;are&nbsp;three&nbsp;trivial&nbsp;slip&nbsp;of&nbsp;example22.
&gt;
&gt;In&nbsp;the&nbsp;"README"&nbsp;file&nbsp;of&nbsp;example22:
&gt;ONE:&nbsp;"2)&nbsp;make&nbsp;a&nbsp;band&nbsp;structure&nbsp;calculation&nbsp;for&nbsp;Pt&nbsp;(input=pt.band.in,
&gt;output=pt.band.out)."
&gt;should&nbsp;be&nbsp;"(input=pt.nscf.in,&nbsp;&nbsp;&nbsp;output=pt.nscf.out)."
&gt;TWO:"9)&nbsp;make&nbsp;a&nbsp;self-consistent&nbsp;calculation&nbsp;for&nbsp;Pt&nbsp;in&nbsp;a&nbsp;tetragonal&nbsp;cell&nbsp;with
&gt;4&nbsp;atoms&nbsp;&nbsp;(input=pt.tet4.in,&nbsp;output=pt.tet4.out)."
&gt;should&nbsp;be&nbsp;"&nbsp;(input=pt4.in,&nbsp;output=pt4.out)."
&gt;
&gt;THREE:&nbsp;When&nbsp;I&nbsp;try&nbsp;to&nbsp;open&nbsp;"pt.nscf_ph.in"&nbsp;with&nbsp;PWgui,&nbsp;I&nbsp;get&nbsp;the&nbsp;follow
&gt;error"syntax&nbsp;error&nbsp;in&nbsp;the&nbsp;input&nbsp;file:expecting&nbsp;keyword&nbsp;ATOMIC&nbsp;SPECIES,&nbsp;but
&gt;read&nbsp;PHONON&nbsp;instead"
&gt;I&nbsp;use&nbsp;espresso4.0.4.&nbsp;But&nbsp;I&nbsp;notice&nbsp;that&nbsp;in&nbsp;espresso4.1,&nbsp;there&nbsp;is&nbsp;not&nbsp;"
&gt;pt.nscf_ph.in"&nbsp;file&nbsp;any&nbsp;more.
&gt;The&nbsp;"pt.nscf_ph.in"&nbsp;is&nbsp;given&nbsp;below:
&gt;"Pt
&gt;Pt
&gt;&nbsp;&amp;control
&gt;&nbsp;&nbsp;&nbsp;&nbsp;calculation&nbsp;=&nbsp;'phonon'
&gt;&nbsp;&nbsp;&nbsp;&nbsp;restart_mode='from_scratch',
&gt;&nbsp;&nbsp;&nbsp;&nbsp;prefix='Pt',
&gt;&nbsp;&nbsp;&nbsp;&nbsp;pseudo_dir&nbsp;=&nbsp;'/home/raman/espresso-4.0.4/pseudo/',
&gt;&nbsp;&nbsp;&nbsp;&nbsp;outdir='/home/raman/tmp/'
&gt;&nbsp;/
&gt;&nbsp;&amp;system
&gt;&nbsp;&nbsp;&nbsp;&nbsp;ibrav=&nbsp;&nbsp;2,&nbsp;celldm(1)&nbsp;=7.42,&nbsp;nat=&nbsp;&nbsp;1,&nbsp;ntyp=&nbsp;1,
&gt;&nbsp;&nbsp;&nbsp;&nbsp;lspinorb=.true.,
&gt;&nbsp;&nbsp;&nbsp;&nbsp;noncolin=.true.,
&gt;&nbsp;&nbsp;&nbsp;&nbsp;starting_magnetization=0.0,
&gt;&nbsp;&nbsp;&nbsp;&nbsp;occupations='smearing',
&gt;&nbsp;&nbsp;&nbsp;&nbsp;degauss=0.02,
&gt;&nbsp;&nbsp;&nbsp;&nbsp;smearing='mp',
&gt;&nbsp;&nbsp;&nbsp;&nbsp;ecutwfc&nbsp;=30.0,
&gt;&nbsp;&nbsp;&nbsp;&nbsp;ecutrho&nbsp;=250.0,
&gt;&nbsp;/
&gt;&nbsp;&amp;electrons
&gt;&nbsp;&nbsp;&nbsp;&nbsp;mixing_beta&nbsp;=&nbsp;0.7,
&gt;&nbsp;&nbsp;&nbsp;&nbsp;conv_thr&nbsp;=&nbsp;&nbsp;1.0d-8
&gt;&nbsp;/
&gt;&nbsp;&amp;phonon
&gt;&nbsp;xqq(1)=1.d0,
&gt;&nbsp;xqq(2)=0.d0,
&gt;&nbsp;xqq(3)=0.d0,
&gt;&nbsp;/
&gt;ATOMIC_SPECIES
&gt;Pt&nbsp;&nbsp;79.90&nbsp;&nbsp;&nbsp;&nbsp;Ptrel.RRKJ3.UPF
&gt;ATOMIC_POSITIONS
&gt;Pt&nbsp;&nbsp;0.0000000&nbsp;&nbsp;&nbsp;0.00000000&nbsp;&nbsp;&nbsp;0.0
&gt;K_POINTS&nbsp;AUTOMATIC
&gt;2&nbsp;2&nbsp;2&nbsp;1&nbsp;1&nbsp;1"
&gt;
&gt;
&gt;--&nbsp;
&gt;____________________________________
&gt;Hui&nbsp;Wang
&gt;School&nbsp;of&nbsp;physics,&nbsp;Nankai&nbsp;University,&nbsp;Tianjin,&nbsp;China
&gt;--------------&nbsp;next&nbsp;part&nbsp;--------------
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&gt;
&gt;------------------------------
&gt;
&gt;_______________________________________________
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&gt;Pw_forum@pwscf.org
&gt;http://www.democritos.it/mailman/listinfo/pw_forum
&gt;
&gt;
&gt;End&nbsp;of&nbsp;Pw_forum&nbsp;Digest,&nbsp;Vol&nbsp;27,&nbsp;Issue&nbsp;82
&gt;****************************************
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