<div style="line-height:1.7;color:#000000;font-size:14px;font-family:arial">Dear Axel, thank you very much.<br>I will try ifort+mpich2 in my own directory, hoping it works and the newest ifort 12 can work in Fedora 7.<br><br><div>--<br>GAO Zhe<br>CMC Lab, Materials Science &amp; Engineering Department,<br>Seoul National University, South Korea<br>        
&nbsp;</div><div id="divNeteaseMailCard"></div><br><pre><br>At&nbsp;2012-02-08&nbsp;22:12:02,"Axel&nbsp;Kohlmeyer"&nbsp;&lt;akohlmey@gmail.com&gt;&nbsp;wrote:
&gt;2012/2/8&nbsp;GAO&nbsp;Zhe&nbsp;&lt;flux_ray12@163.com&gt;:
&gt;&gt;&nbsp;Dear&nbsp;QE&nbsp;developer&nbsp;and&nbsp;users
&gt;&gt;&nbsp;I&nbsp;am&nbsp;using&nbsp;an&nbsp;old&nbsp;cluster&nbsp;for&nbsp;calculation,&nbsp;where&nbsp;mpich2&nbsp;1.2.1&nbsp;was&nbsp;compiled
&gt;&gt;&nbsp;by&nbsp;gortran&nbsp;4.1.2&nbsp;in&nbsp;Fedora&nbsp;7&nbsp;x86_64.
&gt;&gt;&nbsp;The&nbsp;pw.x&nbsp;calculations&nbsp;were&nbsp;fine,&nbsp;but&nbsp;when&nbsp;I&nbsp;was&nbsp;executing&nbsp;ph.x,&nbsp;the&nbsp;iotk
&gt;&gt;&nbsp;error&nbsp;occurred&nbsp;(no&nbsp;matter&nbsp;multi-nodes&nbsp;or&nbsp;single-core,&nbsp;this&nbsp;error&nbsp;occurred&nbsp;as
&gt;&gt;&nbsp;soon&nbsp;as&nbsp;the&nbsp;input&nbsp;file&nbsp;read&nbsp;by&nbsp;ph.x)&nbsp;:
&gt;&gt;&nbsp;#&nbsp;FROM&nbsp;IOTK&nbsp;LIBRARY,&nbsp;VERSION&nbsp;1.2.0
&gt;&gt;&nbsp;#&nbsp;UNRECOVERABLE&nbsp;ERROR&nbsp;(ierr=1)
&gt;&gt;&nbsp;#&nbsp;ERROR&nbsp;IN:&nbsp;iotk_scan_end&nbsp;(iotk_scan.f90:241)
&gt;&gt;&nbsp;#&nbsp;CVS&nbsp;Revision:&nbsp;1.23
&gt;&gt;&nbsp;#&nbsp;foundl
&gt;&gt;&nbsp;#&nbsp;ERROR&nbsp;IN:&nbsp;iotk_close_read&nbsp;(iotk_files.f90:746)
&gt;&gt;&nbsp;#&nbsp;CVS&nbsp;Revision:&nbsp;1.20
&gt;&gt;&nbsp;As&nbsp;I&nbsp;known,&nbsp;such&nbsp;a&nbsp;problem&nbsp;is&nbsp;due&nbsp;to&nbsp;the&nbsp;bug&nbsp;of&nbsp;compiler,&nbsp;i.e.,&nbsp;gfortran
&gt;&gt;&nbsp;4.1.2.&nbsp;However,&nbsp;since&nbsp;I&nbsp;just&nbsp;have&nbsp;the&nbsp;normal&nbsp;user&nbsp;authority&nbsp;in&nbsp;this&nbsp;cluster,
&gt;&gt;&nbsp;I&nbsp;cannot&nbsp;upgrade&nbsp;gfortran&nbsp;or&nbsp;install&nbsp;other&nbsp;fortran&nbsp;compiler.&nbsp;Even&nbsp;mpich2&nbsp;was
&gt;&gt;&nbsp;installed&nbsp;in&nbsp;/usr,&nbsp;so&nbsp;I&nbsp;cannot&nbsp;re-compile&nbsp;it.
&gt;
&gt;yes,&nbsp;you&nbsp;can&nbsp;compile&nbsp;and&nbsp;install&nbsp;both&nbsp;the&nbsp;GCC&nbsp;compilers
&gt;(including&nbsp;gfortran)&nbsp;and&nbsp;the&nbsp;MPI&nbsp;library&nbsp;without&nbsp;superuser
&gt;privilege&nbsp;and&nbsp;override&nbsp;the&nbsp;system&nbsp;defaults.&nbsp;it&nbsp;just&nbsp;takes
&gt;some&nbsp;effort&nbsp;and&nbsp;requires&nbsp;reading&nbsp;of&nbsp;the&nbsp;corresponding
&gt;documentation.&nbsp;i&nbsp;have&nbsp;done&nbsp;both&nbsp;many&nbsp;times&nbsp;on&nbsp;very
&gt;different&nbsp;machines&nbsp;without&nbsp;having&nbsp;root&nbsp;access.
&gt;
&gt;axel.
&gt;
&gt;
&gt;&gt;&nbsp;In&nbsp;such&nbsp;a&nbsp;case,&nbsp;do&nbsp;I&nbsp;have&nbsp;to&nbsp;give&nbsp;up&nbsp;the&nbsp;phonon&nbsp;calculaitons&nbsp;in&nbsp;this&nbsp;cluster
&gt;&gt;&nbsp;?
&gt;&gt;
&gt;&gt;&nbsp;--
&gt;&gt;&nbsp;GAO&nbsp;Zhe
&gt;&gt;&nbsp;CMC&nbsp;Lab,&nbsp;Materials&nbsp;Science&nbsp;&amp;&nbsp;Engineering&nbsp;Department,
&gt;&gt;&nbsp;Seoul&nbsp;National&nbsp;University,&nbsp;South&nbsp;Korea
&gt;&gt;
&gt;&gt;
&gt;&gt;
&gt;&gt;
&gt;&gt;&nbsp;_______________________________________________
&gt;&gt;&nbsp;Pw_forum&nbsp;mailing&nbsp;list
&gt;&gt;&nbsp;Pw_forum@pwscf.org
&gt;&gt;&nbsp;http://www.democritos.it/mailman/listinfo/pw_forum
&gt;&gt;
&gt;
&gt;
&gt;
&gt;--&nbsp;
&gt;Dr.&nbsp;Axel&nbsp;Kohlmeyer
&gt;akohlmey@gmail.com&nbsp;&nbsp;http://goo.gl/1wk0
&gt;
&gt;College&nbsp;of&nbsp;Science&nbsp;and&nbsp;Technology
&gt;Temple&nbsp;University,&nbsp;Philadelphia&nbsp;PA,&nbsp;USA.
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