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<DIV><FONT size=2 face=Arial>Sorry, I sent an unfinished message.</FONT></DIV>
<DIV><FONT size=2 face=Arial></FONT> </DIV>
<DIV><FONT size=2 face=Arial>When using _ph0{prefix}.phsave, I got the error
message shown in the previous</FONT></DIV>
<DIV><FONT size=2 face=Arial>message.</FONT></DIV>
<DIV><FONT size=2 face=Arial></FONT> </DIV>
<DIV><FONT size=2 face=Arial>Here is the snippet of my script for distributing
lsf tasks:</FONT></DIV>
<DIV><FONT size=2 face=Arial></FONT> </DIV>
<DIV><FONT size=2 face=Arial>......</FONT></DIV>
<DIV><FONT size=2 face=Arial>nq=`sed -n '2p'
./${system}_q${nq1}${nq2}${nq3}.dyn0`<BR> <BR>for ((i=1; i<=$nq;
i++))<BR>do<BR> if test ! -d $TMP_DIR/${system}/q${i} ;
then<BR> mkdir
$TMP_DIR/${system}/q${i}<BR> cp -r
$TMP_DIR/${system}/${system}.* $TMP_DIR/${system}/q${i}<BR>
fi<BR> if test ! -d
$TMP_DIR/${system}/q${i}/_ph0${system}.phsave ;
then<BR> mkdir
$TMP_DIR/${system}/q${i}/_ph0${system}.phsave<BR>
cp -r $TMP_DIR/${system}/_ph0${system}.phsave/*
$TMP_DIR/${system}/q${i}/_ph0${system}.phsave<BR>
fi<BR>done<BR> <BR>for ((i=1; i<=$nq; i++))<BR>do<BR>cat >
${system}_q${i}.in << EOF<BR>phonons of ${system}</FONT></DIV>
<DIV><FONT size=2 face=Arial> &inputph<BR> tr2_ph =
1.0d-13,<BR> alpha_mix(1) = 0.2,<BR> prefix = '${system}',<BR>
ldisp = .true.,<BR> recover = .true.<BR> nq1 = ${nq1}, nq2 = ${nq2},
nq3 = ${nq3}<BR> start_q = $i, last_q = $i</FONT></DIV>
<DIV><FONT size=2 face=Arial> outdir =
'$TMP_DIR/${system}/q${i}',<BR> fildyn =
'${system}_q${nq1}${nq2}${nq3}.dyn'</FONT></DIV>
<DIV><FONT size=2 face=Arial>......</FONT></DIV>
<DIV><FONT size=2 face=Arial>EOF</FONT></DIV>
<DIV><FONT size=2 face=Arial>$ECHO "calculation of q point $i"<BR>bsub -a
intelmpi -n $processes \<BR> -R "span[ptile=8]"
\<BR> -J ${r}q${i}anda \<BR> -oo
${system}_q${i}.out \<BR> -eo ${system}_q${i}.err
\<BR> $PH_COMMAND -input
./${system}_q${i}.in<BR>done<BR></FONT></DIV>
<DIV><FONT size=2 face=Arial> </DIV></FONT>
<DIV><FONT size=2 face=Arial>Huiqun Zhou</FONT></DIV>
<DIV><FONT size=2 face=Arial>@Earth Sciences, Nanjing University,
China</DIV></FONT>
<BLOCKQUOTE
style="BORDER-LEFT: #000000 2px solid; PADDING-LEFT: 5px; PADDING-RIGHT: 0px; MARGIN-LEFT: 5px; MARGIN-RIGHT: 0px">
<DIV style="FONT: 10pt arial">----- Original Message ----- </DIV>
<DIV
style="FONT: 10pt arial; BACKGROUND: #e4e4e4; font-color: black"><B>From:</B>
<A title=hqzhou@nju.edu.cn href="mailto:hqzhou@nju.edu.cn">Huiqun Zhou</A>
</DIV>
<DIV style="FONT: 10pt arial"><B>To:</B> <A title=pw_forum@pwscf.org
href="mailto:pw_forum@pwscf.org">pw_forum@pwscf.org</A> </DIV>
<DIV style="FONT: 10pt arial"><B>Sent:</B> Tuesday, July 06, 2010 12:00
PM</DIV>
<DIV style="FONT: 10pt arial"><B>Subject:</B> [Pw_forum] Distributing phonon
calculations to different machines</DIV>
<DIV><FONT size=2 face=Arial></FONT><FONT size=2 face=Arial></FONT><BR></DIV>
<DIV><FONT size=2 face=Arial>dear developers,</FONT></DIV>
<DIV><FONT size=2 face=Arial></FONT> </DIV>
<DIV><FONT size=2 face=Arial>Please clarify what directory should be copied
for distributing phonon calculations</FONT></DIV>
<DIV><FONT size=2 face=Arial>to different machines, </FONT><FONT
size=2 face=Arial>_ph{prefix}.phsave or _ph0{prefix}.phsave? The former
is </FONT></DIV>
<DIV><FONT size=2 face=Arial>described in the manual INPUT_PH.html, the latter
is used in the GRID_example. </FONT></DIV>
<DIV><FONT size=2 face=Arial>Although there is no _ph{prefix}.phsave existed
after the preparatory run with </FONT></DIV>
<DIV><FONT size=2 face=Arial>start_irr=0 and last_irr=0, using the former
works OK at the cost of redundant </FONT></DIV>
<DIV><FONT size=2 face=Arial>calculations. </FONT></DIV>
<DIV><FONT size=2 face=Arial></FONT> </DIV>
<DIV><FONT size=2 face=Arial> Representation # 1
mode # 1<BR> <BR> Self-consistent
Calculation<BR> <BR> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<BR>
from davcio : error #
25<BR> error while reading from
file<BR> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<BR> <BR>
stopping ...</FONT></DIV>
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