<div dir="ltr"><div>Anybody with system privileges can create a user-writable "/scratch" directory if so desired. The code will anyway complain that "/scratch" if not writable if it is not.<br><br><br></div>Paolo</div><div class="gmail_extra"><br><div class="gmail_quote">On Mon, May 23, 2016 at 3:54 PM, Yue-Wen Fang <span dir="ltr"><<a href="mailto:yuewen.fang@gmail.com" target="_blank">yuewen.fang@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr">Dr. Stefano, yes, I agree with you on the point of tmp_dir. There is no tag for this.<div><br></div><div>However, I don't think the outdir "must" be right, generally in the linux system, we don't have /scratch/ and most of the users cannot write data in root directory "/". I think what he really need is "./scratch" but not "/scratch/". </div><div><br></div><div>Hence, Korichi, please check both of these in your case.<br></div><div class="gmail_extra"><br><div class="gmail_quote">2016-05-23 10:59 GMT+09:00 stefano de gironcoli <span dir="ltr"><<a href="mailto:degironc@sissa.it" target="_blank">degironc@sissa.it</a>></span>:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div text="#000000" bgcolor="#FFFFFF">
<div>outdir is fine<br>
there isn't such a thing as tmp_dir tho.<span><font color="#888888"><br>
stefano</font></span><div><div><br>
<br>
<br>
On 23/05/2016 03:12, Yue-Wen Fang wrote:<br>
</div></div></div><div><div>
<blockquote type="cite">
<div dir="ltr">
<div><font face="arial,helvetica,sans-serif"><font face="times
new roman,serif"><font face="arial,helvetica,sans-serif"><font size="3" color="#000000"><font size="2" color="#222222">Hi, Korichi</font></font></font></font></font></div>
<div><font face="arial,helvetica,sans-serif"><font face="times
new roman,serif"><font face="arial,helvetica,sans-serif"><font size="3" color="#000000"><br>
</font></font></font></font></div>
<div><font face="arial,helvetica,sans-serif"><font face="times
new roman,serif"><font face="arial,helvetica,sans-serif"><font size="3" color="#000000">I think outdir='/scratch/'
could be wrong, are your sure it is not "~/scratch" or
some other directory?</font></font></font></font></div>
<div><font size="3" color="#000000"><br>
</font></div>
<div><font size="3" color="#000000">In addtion, please include
your affiliation next time when you post new thread.</font></div>
<div><font size="3" color="#000000"><br>
</font></div>
<div><font size="3" color="#000000">Bests</font></div>
<div><font size="3" color="#000000">Fang</font></div>
<div><font size="3" color="#000000"><br>
</font></div>
<div class="gmail_extra"><br>
<div class="gmail_quote">2016-05-23 5:30 GMT+09:00 Korichi
Khadija <span dir="ltr"><<a href="mailto:kooorichi@gmail.com" target="_blank">kooorichi@gmail.com</a>></span>:<br>
<blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;padding-left:1ex;border-left-color:rgb(204,204,204);border-left-width:1px;border-left-style:solid">
<div dir="ltr">hello
<div>
<pre style="color:rgb(0,0,0);line-height:19.6px;font-family:courier,"courier new",monospace;font-size:14px;margin-top:0px;margin-bottom:0px;white-space:pre-wrap">I am new to Quantum Espresso and <span style="line-height:19.6px">when I run pw.x of the scrpit below ,</span></pre>
<pre style="margin-top:0px;margin-bottom:0px"><pre style="color:rgb(0,0,0);line-height:19.6px;font-family:courier,"courier new",monospace;font-size:14px;margin-top:0px;margin-bottom:0px;white-space:pre-wrap"></pre><pre style="margin-top:0px;margin-bottom:0px"><font face="courier, courier new, monospace" color="#000000"><span style="line-height:19.6px;font-size:14px;white-space:pre-wrap">&control
calculation='scf'
restart_mode='from_scratch',
pseudo_dir='/home/Julnar/software/espresso-4.3.2/pseudo',
outdir='/scratch/'
prefix='lead'
tmp_dir='/home/Julnar/software/espresso-4.3.2/S3DE/iotk/tmp'
/
&system
ibrav = 6,
celldm(1) = 7.5416,
celldm(3) = 0.98655,
nat= 5,
ntyp= 3,
nspin = 2,
starting_magnetization(2)=1.0,
ecutwfc = 37.0,
ecutrho = 370.0
occupations='smearing',
smearing='methfessel-paxton',
degauss=0.01
/
&electrons
conv_thr = 1.0e-8
mixing_beta = 0.1
/
ATOMIC_SPECIES
Sr 87.62 Sr.pw91-nsp-van.UPF
Ru 101.10 Ru.pw91-n-van.UPF
O 16.00 O.pw91-van_ak.UPF
ATOMIC_POSITIONS
Sr 0 0 0
O 0.5 0.5 0
Ru 0.5 0.5 0.494
O 0.5 0 0.494
O 0 0.5 0.494
K_POINTS (automatic)
10 10 10 1 1 1
</span></font></pre></pre>
<div><br>
</div>
<div>***************************************************************************************</div>
<div><br>
</div>
<div>
<pre style="color:rgb(0,0,0);line-height:19.6px;font-family:courier,"courier new",monospace;font-size:14px;margin-top:0px;margin-bottom:0px;white-space:pre-wrap"><span style="line-height:19.6px"> I am getting the following error:</span></pre>
<pre style="color:rgb(0,0,0);line-height:19.6px;font-family:courier,"courier new",monospace;font-size:14px;margin-top:0px;margin-bottom:0px;white-space:pre-wrap"><span style="line-height:19.6px">
</span></pre>
<pre style="color:rgb(0,0,0);line-height:19.6px;font-family:courier,"courier new",monospace;font-size:14px;margin-top:0px;margin-bottom:0px;white-space:pre-wrap"><span style="line-height:19.6px">
</span></pre>
</div>
<div>
<div><br>
</div>
<div> This program is part of the open-source
Quantum ESPRESSO suite</div>
<div> for quantum simulation of materials;
please cite</div>
<div> "P. Giannozzi et al., J.
Phys.:Condens. Matter 21 395502 (2009);</div>
<div> URL <a href="http://www.quantum-espresso.org" target="_blank">http://www.quantum-espresso.org</a>", </div>
<div> in publications or presentations arising
from this work. More details at</div>
<div> <a href="http://www.quantum-espresso.org/quote" target="_blank">http://www.quantum-espresso.org/quote</a></div>
<div><br>
</div>
<div> Parallel version (MPI), running on 1
processors</div>
<div> Waiting for input...</div>
<div> Reading input from standard input</div>
<div><br>
</div>
<div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div>
<div> Error in routine read_namelists (5010):</div>
<div> reading namelist control</div>
<div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div>
</div>
<div><br>
</div>
<div>
<pre style="color:rgb(0,0,0);line-height:19.6px;font-family:courier,"courier new",monospace;font-size:14px;margin-top:0px;margin-bottom:0px;white-space:pre-wrap">Please may someone shed some light on to why this is the case, and if there is anything wrong with my input. ?</pre>
</div>
</div>
</div>
<br>
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</blockquote>
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<br>
<br clear="all">
<br>
-- <br>
<div>
<div dir="ltr">
<div>
<div dir="ltr">
<div>
<div dir="ltr">------------------------------------------------------------------------------------------------------------
<div>Yue-Wen FANG, PhD student
<div>
<div style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:14px;background-color:rgb(255,255,255)"><a href="http://english.ecnu.edu.cn/" target="_blank">East China Normal
University</a>, China</div>
<div style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:14px;background-color:rgb(255,255,255)">Japan
Fine Ceramics Center, Japan</div>
<div style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:14px;background-color:rgb(255,255,255)"><br>
</div>
</div>
<div><br>
</div>
<div><br>
</div>
</div>
</div>
</div>
</div>
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</div>
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</div>
<br>
<fieldset></fieldset>
<br>
<pre>_______________________________________________
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</blockquote>
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<a href="http://pwscf.org/mailman/listinfo/pw_forum" rel="noreferrer" target="_blank">http://pwscf.org/mailman/listinfo/pw_forum</a><span class="HOEnZb"><font color="#888888"><br></font></span></blockquote></div><span class="HOEnZb"><font color="#888888"><br><br clear="all"><div><br></div>-- <br><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr">------------------------------------------------------------------------------------------------------------<div>Yue-Wen FANG, PhD student<div><div style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:14px;background-color:rgb(255,255,255)"><a href="http://english.ecnu.edu.cn/" target="_blank">East China Normal University</a>, China</div><div style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:14px;background-color:rgb(255,255,255)">Japan Fine Ceramics Center, Japan</div><div style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:14px;background-color:rgb(255,255,255)"><br></div></div><div><br></div><div><br></div></div></div></div></div></div></div></div>
</font></span></div></div>
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<a href="http://pwscf.org/mailman/listinfo/pw_forum" rel="noreferrer" target="_blank">http://pwscf.org/mailman/listinfo/pw_forum</a><br></blockquote></div><br><br clear="all"><br>-- <br><div class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div>Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br>Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>Phone +39-0432-558216, fax +39-0432-558222<br><br></div></div></div></div></div>
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