<div style="line-height:1.7;color:#000000;font-size:14px;font-family:arial">The possibilities I guessed:<br>1, Do you have authority to access that directory?<br>2, Do you have enough HDD space for the wavefunction file?<br>3, How about cleaning the directory /home/.../exec/ and re-running the task?<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;2012-07-19&nbsp;05:05:13,"Pedro&nbsp;Augusto&nbsp;F.&nbsp;P.&nbsp;Moreira"&nbsp;&lt;pmoreira@ifi.unicamp.br&gt;&nbsp;wrote:
&gt;&nbsp;&nbsp;Dear&nbsp;all,
&gt;
&gt;&nbsp;&nbsp;I&nbsp;am&nbsp;trying&nbsp;&nbsp;to&nbsp;pw.x,&nbsp;but&nbsp;the&nbsp;following&nbsp;error&nbsp;happens:
&gt;
&gt;&nbsp;&nbsp;%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
&gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;task&nbsp;#&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;0
&gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;from&nbsp;diropn&nbsp;:&nbsp;error&nbsp;#&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;10
&gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;error&nbsp;opening&nbsp;/home/pedro/Documentos/espresso-5.0/exec/h2o.wfc1
&gt;&nbsp;&nbsp;%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
&gt;
&gt;&nbsp;&nbsp;I&nbsp;imagine&nbsp;that&nbsp;the&nbsp;pw.x&nbsp;should&nbsp;open&nbsp;the&nbsp;wcf1&nbsp;file.&nbsp;Am&nbsp;I&nbsp;rigth?&nbsp;Can&nbsp;
&gt;anyone&nbsp;say&nbsp;why&nbsp;this&nbsp;error&nbsp;is&nbsp;happening?&nbsp;I&nbsp;managed&nbsp;to&nbsp;run&nbsp;the&nbsp;same&nbsp;
&gt;simulation,&nbsp;but&nbsp;with&nbsp;an&nbsp;isolated&nbsp;molecule.&nbsp;My&nbsp;input&nbsp;follows&nbsp;below.
&gt;
&gt;&nbsp;&nbsp;Thanks,
&gt;
&gt;&nbsp;&nbsp;Pedro
&gt;
&gt;--&nbsp;
&gt;Pedro&nbsp;Moreira
&gt;
&gt;IFGW&nbsp;-&nbsp;Unicamp&nbsp;-&nbsp;Brazil
&gt;
&gt;#########################################################
&gt;&amp;control
&gt;calculation='relax',
&gt;restart_mode='from_scratch',
&gt;pseudo_dir='/home/pedro/Documentos/espresso-5.0/pseudo',
&gt;outdir='/home/pedro/Documentos/espresso-5.0/exec',
&gt;prefix='h2o',
&gt;tprnfor&nbsp;=&nbsp;.true.,
&gt;nstep&nbsp;=&nbsp;1,
&gt;/
&gt;&amp;system
&gt;ibrav&nbsp;=&nbsp;0,
&gt;nat&nbsp;=&nbsp;1080,&nbsp;ntyp&nbsp;=&nbsp;2,
&gt;ecutwfc&nbsp;=&nbsp;70.0,&nbsp;ecutrho&nbsp;=&nbsp;850.0,
&gt;/
&gt;&amp;electrons
&gt;electron_maxstep&nbsp;=&nbsp;500,
&gt;/
&gt;&amp;ions
&gt;/
&gt;ATOMIC_SPECIES
&gt;H&nbsp;1.00790&nbsp;H.blyp-van_ak.UPF
&gt;O&nbsp;15.9994&nbsp;O.blyp-van_ak.UPF
&gt;CELL_PARAMETERS&nbsp;angstrom
&gt;22.15&nbsp;0.000&nbsp;0.000
&gt;0.000&nbsp;23.02&nbsp;0.000
&gt;0.000&nbsp;0.000&nbsp;21.55
&gt;K_POINTS&nbsp;crystal
&gt;1
&gt;0.00000000&nbsp;0.00000000&nbsp;0.00000000&nbsp;1.000000e+00
&gt;ATOMIC_POSITIONS&nbsp;angstrom
&gt;
&gt;1080&nbsp;atoms
&gt;######################################################
&gt;_______________________________________________
&gt;Pw_forum&nbsp;mailing&nbsp;list
&gt;Pw_forum@pwscf.org
&gt;http://www.democritos.it/mailman/listinfo/pw_forum
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