<br>Thanks Gavin.<br>I tried commenting that line but it got stuck in lapw1 loop and it gave the following error:<br><br> <span style="color:rgb(51,51,255)">LAPW0 END</span><br style="color:rgb(51,51,255)"><span style="color:rgb(51,51,255)"> LAPW0 END</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)"> LAPW0 END</span><br style="color:rgb(51,51,255)"><span style="color:rgb(51,51,255)"> LAPW0 END</span><br style="color:rgb(51,51,255)"><span style="color:rgb(51,51,255)">ssh_askpass: exec(/usr/libexec/openssh/gnome-ssh-askpass): No such file or directory^M</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)">Host key verification failed.^M</span><br><br>Regards<br>Reza<br><br><br><br><br><div class="gmail_quote">On Wed, Sep 26, 2012 at 6:21 PM, Gavin Abo <span dir="ltr"><<a href="mailto:gsabo@crimson.ua.edu" target="_blank">gsabo@crimson.ua.edu</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div bgcolor="#FFFFFF" text="#000000">
<div>You might try commenting <br>
<br>
!call W2kinit
<br>
<br>
in SRC_lapw1/lapw1.F (line 34 Wien2k 12.1) and recompile as was
mentioned:<br>
<br>
<a href="http://zeus.theochem.tuwien.ac.at/pipermail/wien/2012-August/017575.html" target="_blank">http://zeus.theochem.tuwien.ac.at/pipermail/wien/2012-August/017575.html</a><div><div class="h5"><br>
<br>
On 9/26/2012 10:03 AM, Reza Mahani wrote:<br>
</div></div></div>
<blockquote type="cite"><div><div class="h5"><br>
<div class="gmail_quote">Hi Prof Blaha and wien2k users,<br>
<br>
I have recently installed wien2k 12.1 without any errors and I
was running a test job with it inorder to check the parallel
mode. It gave me the following errors:<br>
dayfile content:<br>
<br>
<span style="color:rgb(51,51,255)">Calculating GaAs in
/lunarc/nobackup/users/reza/WIEN2k/test/GaAs</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)">on an010 with PID 21141</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)">using WIEN2k_12.1 (Release
22/7/2012) in /lunarc/nobackup/users/reza/Wien2k_12.1</span><br style="color:rgb(51,51,255)">
<br style="color:rgb(51,51,255)">
<br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)"> start (Wed Sep 26
10:19:05 CEST 2012) with lapw0 (100/99 to go)</span><br style="color:rgb(51,51,255)">
<br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)"> cycle 1 (Wed Sep 26
10:19:05 CEST 2012) (100/99 to go)</span><br style="color:rgb(51,51,255)">
<br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)">> lapw0 -p (10:19:05)
starting parallel lapw0 at Wed Sep 26 10:19:06 CEST 2012</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)">-------- .machine0 : 8
processors</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)">16.100u 2.127s 0:06.00
303.6% 0+0k 132168+24680io 202pf+0w</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)">> lapw1 -c -up -p
(10:19:12) starting parallel lapw1 at Wed Sep 26 10:19:12 CEST
2012</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)">-> starting parallel
LAPW1 jobs at Wed Sep 26 10:19:12 CEST 2012</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)">running LAPW1 in parallel
mode (using .machines)</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)">1 number_of_parallel_jobs</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)"> an010 an010 an010 an010
an010 an010 an010 an010(120) Child id 3 SIGSEGV,
contact developers</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)"> Child id 0
SIGSEGV, contact developers</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)"> Child id 7
SIGSEGV, contact developers</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)"> Child id 1
SIGSEGV, contact developers</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)"> Child id 2
SIGSEGV, contact developers</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)"> Child id 6
SIGSEGV, contact developers</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)"> Child id 5
SIGSEGV, contact developers</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)"> Child id 4
SIGSEGV, contact developers</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)">0.341u 0.463s 0:01.42
56.3% 0+0k 1976+5760io 47pf+0w</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)"> Summary of lapw1para:</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)"> an010 k=0
user=0 wallclock=0</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)">0.423u 0.884s 0:03.75
34.6% 0+0k 2496+6152io 53pf+0w</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)">> lapw1 -c -dn -p
(10:19:16) starting parallel lapw1 at Wed Sep 26 10:19:16 CEST
2012</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)">-> starting parallel
LAPW1 jobs at Wed Sep 26 10:19:16 CEST 2012</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)">running LAPW1 in parallel
mode (using .machines.help)</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)">1 number_of_parallel_jobs</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)"> an010 an010 an010 an010
an010 an010 an010 an010(120) Child id 7 SIGSEGV,
contact developers</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)"> Child id 2
SIGSEGV, contact developers</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)"> Child id 0
SIGSEGV, contact developers</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)"> Child id 4
SIGSEGV, contact developers</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)"> Child id 1
SIGSEGV, contact developers</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)"> Child id 6
SIGSEGV, contact developers</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)"> Child id 3
SIGSEGV, contact developers</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)"> Child id 5
SIGSEGV, contact developers</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)">0.123u 0.130s 0:01.18
21.1% 0+0k 0+1448io 15pf+0w</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)"> Summary of lapw1para:</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)"> an010 k=0
user=0 wallclock=0</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)">0.209u 0.545s 0:03.70
20.0% 0+0k 0+1832io 15pf+0w</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)">> lapw2 -c -up -p
(10:19:20) running LAPW2 in parallel mode</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)">** LAPW2 crashed!</span><br style="color:rgb(51,51,255)">
<br style="color:rgb(0,0,153)">
<br>
<br>
job.err content:<br>
<br>
<span style="color:rgb(51,51,255)">LAPW0 END</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)"> LAPW0 END</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)">epl: Subscript out of range.</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)">w2k_dispatch_signal():
received: Segmentation fault</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)">w2k_dispatch_signal():
received: Segmentation fault</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)">w2k_dispatch_signal():
received: Segmentation fault</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)">w2k_dispatch_signal():
received: Segmentation fault</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)">w2k_dispatch_signal():
received: Segmentation fault</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)">w2k_dispatch_signal():
received: Segmentation fault</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)">w2k_dispatch_signal():
received: Segmentation fault</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)">w2k_dispatch_signal():
received: Segmentation fault</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)">--------------------------------------------------------------------------</span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)">MPI_ABORT was invoked on rank
7 in communicator MPI_COMM_WORLD </span><br style="color:rgb(51,51,255)">
<span style="color:rgb(51,51,255)">with errorcode 80.</span><br style="color:rgb(51,51,255)">
<br style="color:rgb(51,51,255)">
Could you please tell me what causes this problem?<br>
<br>
Regards<br>
Reza<span><font color="#888888"><br>
<br>
</font></span></div>
<br>
<br>
<fieldset></fieldset>
<br>
</div></div><pre>_______________________________________________
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</blockquote>
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