<span class="Apple-style-span" style="font-family: arial, sans-serif; font-size: 13px; border-collapse: collapse; "><span style="font-family: arial, sans-serif; font-size: 13px; border-collapse: collapse; ">Dear <span style="font-family: arial, sans-serif; font-size: 13px; border-collapse: collapse; ">Andrea:</span></span><div>
<span style="font-size: 13px; "><span style="font-size: 13px; "></span></span><font face="arial, sans-serif"><span style="border-collapse: collapse; ">I follow your first suggestion and try "~espresso/bin/iotk convert file.dat file.xml".</span></font></div>
<div>This method works smoothly. </div><div>And when I use "gedit" to open file.xml, I get data which are arranged in columns and rows orderly.</div></span><div><font class="Apple-style-span" face="arial, sans-serif"><span class="Apple-style-span" style="line-height: 20px;"><br>
</span></font></div><div>However, when I tried to compile Test_QEXML<font class="Apple-style-span" face="arial, sans-serif"><span class="Apple-style-span" style="border-collapse: collapse;">, I failed.</span></font></div>
<div><font class="Apple-style-span" face="arial, sans-serif"><span class="Apple-style-span" style="border-collapse: collapse;">1: I install QE-4.1.2 successfully.</span></font></div><div><font class="Apple-style-span" face="arial, sans-serif"><span class="Apple-style-span" style="border-collapse: collapse;">2: I follow the README to change the QE directory in makefile.(espresso_home=/home/raman/espresso-4.1.2)</span></font></div>
<div><font class="Apple-style-span" face="arial, sans-serif"><span class="Apple-style-span" style="border-collapse: collapse;">3: I type "make all" in directory <span class="Apple-style-span" style="border-collapse: separate; font-family: arial; ">Test_QEXML. But I got the following error message:</span></span></font></div>
<div>@~/PWscf-accessory/Test_QEXML>make all</div><div>cd /home/raman/espresso-4.1.2/PP</div><div>make qexml.o</div><div>make[1]: Entering directory `/home/raman/PWscf-accessory/Test_QEXML'</div><div>make[1]: *** No rule to make target `qexml.o'. Stop.</div>
<div>make[1]: Leaving directory `/home/raman/PWscf-accessory/Test_QEXML'</div><div>make: *** [/home/raman/espresso-4.1.2/PP/qexml.o] Error 2</div><div><br></div><div>I am not familiar with fortran. I use Fedora10.</div>
<div>Can you tell me how to deal with it?</div><div><br></div><div>Thanks in advance ：）</div><div><br></div><div class="gmail_quote">On Wed, Feb 10, 2010 at 9:55 PM, Andrea Ferretti <span dir="ltr"><<a href="mailto:ferretti@mit.edu">ferretti@mit.edu</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;"><br>
<br>
Hi Xirainbow,<br>
<br>
"qexml_v3.1.1.f90", "qexml_v3.1.f90" are old versions of the library kept there for consistencies with previous versions of QE.<br>
Please refer to "~espresso/PP/qexml.f90", which must be the most up-to-date version of it. Note that back-compatibility with<br>
older versions of QE is supported.<br>
<br>
In terms of the usage of the library, you can have a look at a simple example at<br>
<br>
<a href="http://web.mit.edu/~ferretti/www/Test_QEXML.tgz" target="_blank">http://web.mit.edu/~ferretti/www/Test_QEXML.tgz</a><br>
<br>
instructions to compile, run and check the test are given inside the tarball.<br>
<br>
Developers: if you think that such an example can be useful to be discributed with the library, feel free to use it and include it.<br><font color="#888888">
<br>
Andrea</font><div><div></div><div class="h5"><br></div></div></blockquote><div> </div></div>-- <br>____________________________________<br>Hui Wang<br>School of physics, Nankai University, Tianjin, China<br>