<html>
<head>
<meta http-equiv="Content-Type" content="text/html; charset=utf-8">
</head>
<body text="#000000" bgcolor="#FFFFFF">
<p>I'm not too familiar with NMR calculations. I suspect that a
non-zero nmr_q0.vector should be written by the "x_nmr -mode
lapw1". Does nmr_q0.vector have a zero or non-zero file size
(file size should be given in the output for example of the
terminal command: ls -l
/home/arvind/WIEN2k/CoFe/nmr_q0/nmr_q0.vector).</p>
<p>What ifort version are you using (ifort version should be for
example the output of the terminal command: ifort -v)? The
"end-of-file during read" error could possibly be from the I/O
handling changes that Intel has been making with their recent
2016/2017/2018 compilers to improve compliance with the more
recent Fortran specifications:</p>
<a class="moz-txt-link-freetext" href="https://software.intel.com/en-us/articles/read-failure-unformatted-file-io-psxe-16-update-3">https://software.intel.com/en-us/articles/read-failure-unformatted-file-io-psxe-16-update-3</a><br>
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17332.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17332.html</a><br>
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17317.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17317.html</a><br>
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16802.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16802.html</a><br>
<br>
Since there may not be an Intel Fortran bug fix list for the 2018
compilers, it may be hard to tell if Intel is resolving any possible
I/O file issues with their latest 2018 compilers:<br>
<br>
<a class="moz-txt-link-freetext" href="https://software.intel.com/en-us/forums/intel-visual-fortran-compiler-for-windows/topic/714857">https://software.intel.com/en-us/forums/intel-visual-fortran-compiler-for-windows/topic/714857</a><br>
<br>
<div class="moz-cite-prefix">On 6/8/2018 7:18 AM, Arvind Kumar
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CA+CaqC4nMCVretBRkD-6Hzcc+A97FNm4P24hp7TEzRsNRb-ohQ@mail.gmail.com">
<div dir="ltr"><br clear="all">
<div><span
style="text-decoration-style:initial;text-decoration-color:initial;color:rgb(0,0,0);font-family:Calibri,Arial,Helvetica,sans-serif;font-size:16px;float:none;display:inline">Dear
Prof. Blaha and Wien2k users,</span><span
style="font-size:12.8px;text-decoration-style:initial;text-decoration-color:initial;float:none;display:inline">
</span></div>
<div><br>
</div>
<div>I want to do NMR calculation on CoFe alloy so that I have
made following steps one by one:</div>
<div><br>
</div>
<div>1) run scf calculations (completed)</div>
<div>2) <b>x_nmr in which following steps have completed</b><br>
</div>
<div>i) x_nmr -mode in1 (completed)</div>
<div>ii) x_nmr -mode lapw1 (completed)</div>
<div>iii) x_nmr -mode lapw2 (completed)</div>
<div>iv) x_nmr -mode lcore (completed)</div>
<div> </div>
<div><b>But I got the error in fifth command "x_nmr -mode
current" which is as below:</b></div>
<div><b><br>
</b></div>
<div> <span></span>
<p style="margin-bottom:0cm;line-height:100%">EXECUTING:
/home/arvind/Wien2K/nmr -case CoFe -mode current -green
-scratch ./ -noco </p>
<p style="margin-bottom:0cm;line-height:100%"><br>
</p>
<p style="margin-bottom:0cm;line-height:100%">forrtl: severe
(24):
end-of-file during read, unit 11, file
/home/arvind/WIEN2k/CoFe/nmr_q0/nmr_q0.vector</p>
<p style="margin-bottom:0cm;line-height:100%">Image PC Routine
Line Source </p>
<p style="margin-bottom:0cm;line-height:100%">nmr
00000000004C3E8E Unknown Unknown Unknown</p>
<p style="margin-bottom:0cm;line-height:100%">nmr
00000000004EED05 Unknown Unknown Unknown</p>
<p style="margin-bottom:0cm;line-height:100%">nmr
000000000042FF4C get_nlo_ 18 get_nlo.f</p>
<p style="margin-bottom:0cm;line-height:100%">nmr
000000000044B003 make_current_ 21 make_current_tmp_.F</p>
<p style="margin-bottom:0cm;line-height:100%">nmr
0000000000412A26 MAIN__ 28 nmr.f</p>
<p style="margin-bottom:0cm;line-height:100%">nmr
000000000040367E Unknown Unknown Unknown</p>
<p style="margin-bottom:0cm;line-height:100%"><a
href="http://libc-2.26.so" moz-do-not-send="true">libc-2.26.so</a>
0000149B0FF4C1C1 __libc_start_main Unknown Unknown</p>
<p style="margin-bottom:0cm;line-height:100%">nmr
000000000040356A Unknown Unknown Unknown</p>
<p style="margin-bottom:0cm;line-height:100%">forrtl: severe
(174): SIGSEGV, segmentation fault occurred</p>
<p style="margin-bottom:0cm;line-height:100%">Image PC Routine
Line Source </p>
<p style="margin-bottom:0cm;line-height:100%">nmr
00000000004CD97D Unknown Unknown Unknown</p>
<p style="margin-bottom:0cm;line-height:100%">libpthread-2.26.s
0000149B10C31150 Unknown Unknown Unknown</p>
<p style="margin-bottom:0cm;line-height:100%">libiomp5.so
0000149B105A8184 Unknown Unknown Unknown</p>
<p style="margin-bottom:0cm;line-height:100%"><a
href="http://ld-2.26.so" moz-do-not-send="true">ld-2.26.so</a>
0000149B15D44238 Unknown Unknown Unknown</p>
<p style="margin-bottom:0cm;line-height:100%"><a
href="http://libc-2.26.so" moz-do-not-send="true">libc-2.26.so</a>
0000149B0FF66EC0 Unknown Unknown Unknown</p>
<p style="margin-bottom:0cm;line-height:100%"><a
href="http://libc-2.26.so" moz-do-not-send="true">libc-2.26.so</a>
0000149B0FF66F1A Unknown Unknown Unknown</p>
<p style="margin-bottom:0cm;line-height:100%">nmr
00000000004C503C Unknown Unknown Unknown</p>
<p style="margin-bottom:0cm;line-height:100%">nmr
00000000004C3E8E Unknown Unknown Unknown</p>
<p style="margin-bottom:0cm;line-height:100%">nmr
00000000004EED05 Unknown Unknown Unknown</p>
<p style="margin-bottom:0cm;line-height:100%">nmr
000000000042FF4C get_nlo_ 18 get_nlo.f</p>
<p style="margin-bottom:0cm;line-height:100%">nmr
000000000044B003 make_current_ 21 make_current_tmp_.F</p>
<p style="margin-bottom:0cm;line-height:100%">nmr
0000000000412A26 MAIN__ 28 nmr.f</p>
<p style="margin-bottom:0cm;line-height:100%">nmr
000000000040367E Unknown Unknown Unknown</p>
<p style="margin-bottom:0cm;line-height:100%"><a
href="http://libc-2.26.so" moz-do-not-send="true">libc-2.26.so</a>
0000149B0FF4C1C1 __libc_start_main Unknown Unknown</p>
<p style="margin-bottom:0cm;line-height:100%">nmr
000000000040356A Unknown Unknown Unknown</p>
<p style="margin-bottom:0cm;line-height:100%"><br>
</p>
<p style="margin-bottom:0cm;line-height:100%">stop error</p>
<p style="margin-bottom:0cm;line-height:100%">arvind@arvind-HP-Laptop-15-bs0xx:~/WIEN2k/CoFe$
<br>
</p>
<p style="margin-bottom:0cm;line-height:100%"><br>
</p>
<p style="margin-bottom:0cm;line-height:100%">I am running
these calculation by Wien2k 17.1 version compiled in HP
laptop having 8GB RAM and 1 TB harddisk with mkl library
with ifort+ cc compiler.</p>
<p style="margin-bottom:0cm;line-height:100%"><br>
</p>
<p style="margin-bottom:0cm;line-height:100%">Please suggest
me accordingly.</p>
<p style="margin-bottom:0cm;line-height:100%"><br>
</p>
<p style="margin-bottom:0cm;line-height:100%">Thansk &
Regards, <br>
</p>
<p style="margin-bottom:0cm;line-height:100%"><br>
</p>
<br>
</div>
<div><span
style="font-size:12.8px;text-decoration-style:initial;text-decoration-color:initial;float:none;display:inline"></span></div>
-- <br>
<div class="gmail_signature" data-smartmail="gmail_signature">
<div dir="ltr">Dr. Arvind Kumar
<div>Assistant Professor</div>
<div>Department of Physics</div>
<div>Atma Ram Sanatan Dharma College</div>
<div>(University of Delhi)</div>
<div>Dhaula Kuan, New Delhi-110021</div>
</div>
</div>
</div>
</blockquote>
</body>
</html>