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<div class="moz-cite-prefix">If you use the terminal command: echo
$SCRATCH<br>
<br>
Does it return:<br>
<br>
./<br>
<br>
Looks like there might still be a problem with how SCRATCH is
defined or how "./" is resolved by your system.<br>
<br>
In the error message, you can see:<br>
<br>
/lunarc/nobackup/users/eishfh/WIEN2k/GaAs_ZB/David_project/3Mn001/ALL/test-so/<b>3Mn/./3Mn.vectordn_1</b><br>
<br>
The "./" may be the cause of the problem, because I would expect
the path to be:<br>
<br>
/lunarc/nobackup/users/eishfh/WIEN2k/GaAs_ZB/David_project/3Mn001/ALL/test-so/<b>3Mn/3Mn.vectordn_1<br>
<br>
</b>On 11/12/2016 5:33 PM, Md. Fhokrul Islam wrote:<br>
</div>
<blockquote
cite="mid:SN1PR13MB02865F6F4BD3C7E783169846D3BA0@SN1PR13MB0286.namprd13.prod.outlook.com"
type="cite">
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charset=windows-1252">
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<div id="divtagdefaultwrapper"
style="font-size:12pt;color:#000000;font-family:Calibri,Arial,Helvetica,sans-serif;"
dir="ltr">
<p>Hi Prof. Blaha,</p>
<p><br>
</p>
<p> I wasn't aware of the bug but I will check the updates. I
have repeated <span style="font-size: 12pt;">calculation </span></p>
<p><span style="font-size: 12pt;">with 16 cores (square
processor grid) as you suggested </span><span
style="font-size: 12pt;">but I still </span><span
style="font-size: 12pt;">got the same </span><span
style="font-size: 12pt;">error. </span></p>
<p><span style="font-size: 12pt;">As before, job crashes at
lapwso. I don't see any missing file as </span><span
style="font-size: 12pt;">you can see from </span><span
style="font-size: 12pt;">the </span></p>
<p><span style="font-size: 12pt;">list of vector files.</span></p>
<p><br>
</p>
<p style="margin: 0px; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: normal; font-stretch: normal; font-size: 12px;
line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);
background-color: rgb(255, 255, 255);">
<span style="font-variant-ligatures: no-common-ligatures;">-rw-r--r--.
1 eishfh kalmar 12427583862 Nov 12 10:04 3Mn.vectordn_1</span></p>
<p style="margin: 0px; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: normal; font-stretch: normal; font-size: 12px;
line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);
background-color: rgb(255, 255, 255);">
<span style="font-variant-ligatures: no-common-ligatures;">-rw-r--r--.
1 eishfh kalmar 77760 Nov 12 10:26 3Mn.vectorsodn_1</span></p>
<p style="margin: 0px; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: normal; font-stretch: normal; font-size: 12px;
line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);
background-color: rgb(255, 255, 255);">
<span style="font-variant-ligatures: no-common-ligatures;">-rw-r--r--.
1 eishfh kalmar 77760 Nov 12 10:26 3Mn.vectorsoup_1</span></p>
<p style="margin: 0px; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: normal; font-stretch: normal; font-size: 12px;
line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);
background-color: rgb(255, 255, 255);">
<span style="font-variant-ligatures: no-common-ligatures;">-rw-r--r--.
1 eishfh kalmar 12428559726 Nov 12 04:17 3Mn.vectorup_1</span></p>
<br>
<p>Here are the dayfile and output error files. These are the
only error messages I got. </p>
<p><br>
</p>
<p>case.dayfile:</p>
<p><br>
</p>
<p style="margin: 0px; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: normal; font-stretch: normal; font-size: 12px;
line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);
background-color: rgb(255, 255, 255);">
<span style="font-variant-ligatures: no-common-ligatures;">
cycle 1 (Sat Nov 12 01:21:39 CET 2016) (100/99 to go)</span></p>
<p style="margin: 0px; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: normal; font-stretch: normal; font-size: 12px;
line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);
background-color: rgb(255, 255, 255); min-height: 14px;">
<span style="font-variant-ligatures: no-common-ligatures;"></span><br>
</p>
<p style="margin: 0px; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: normal; font-stretch: normal; font-size: 12px;
line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);
background-color: rgb(255, 255, 255);">
<span style="font-variant-ligatures: no-common-ligatures;">>
lapw0 -p (01:21:39) starting parallel lapw0 at Sat Nov
12 01:21:39 CET 2016</span></p>
<p style="margin: 0px; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: normal; font-stretch: normal; font-size: 12px;
line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);
background-color: rgb(255, 255, 255);">
<span style="font-variant-ligatures: no-common-ligatures;">--------
.machine0 : 16 processors</span></p>
<p style="margin: 0px; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: normal; font-stretch: normal; font-size: 12px;
line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);
background-color: rgb(255, 255, 255);">
<span style="font-variant-ligatures: no-common-ligatures;">14031.329u
15.362s 14:40.87 1594.6% 0+0k 90152+1974560io 175pf+0w</span></p>
<p style="margin: 0px; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: normal; font-stretch: normal; font-size: 12px;
line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);
background-color: rgb(255, 255, 255);">
<span style="font-variant-ligatures: no-common-ligatures;">>
lapw1 -up -p -c (01:36:20) starting parallel lapw1 at
Sat Nov 12 01:36:20 CET 2016</span></p>
<p style="margin: 0px; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: normal; font-stretch: normal; font-size: 12px;
line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);
background-color: rgb(255, 255, 255);">
<span style="font-variant-ligatures: no-common-ligatures;">->
starting parallel LAPW1 jobs at Sat Nov 12 01:36:20 CET 2016</span></p>
<p style="margin: 0px; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: normal; font-stretch: normal; font-size: 12px;
line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);
background-color: rgb(255, 255, 255);">
<span style="font-variant-ligatures: no-common-ligatures;">running
LAPW1 in parallel mode (using .machines)</span></p>
<p style="margin: 0px; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: normal; font-stretch: normal; font-size: 12px;
line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);
background-color: rgb(255, 255, 255);">
<span style="font-variant-ligatures: no-common-ligatures;">1
number_of_parallel_jobs</span></p>
<p style="margin: 0px; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: normal; font-stretch: normal; font-size: 12px;
line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);
background-color: rgb(255, 255, 255);">
<span style="font-variant-ligatures: no-common-ligatures;">
au188 au188 au188 au188 au188 au188 au188 au188 au188
au188 au188 au188 au188 au188 au188 au188(1) 121331.481u
33186.223s 2:41:04.62 1598.7% 0+0k 0+29485672io
118pf+0w</span></p>
<p style="margin: 0px; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: normal; font-stretch: normal; font-size: 12px;
line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);
background-color: rgb(255, 255, 255);">
<span style="font-variant-ligatures: no-common-ligatures;">
Summary of lapw1para:</span></p>
<p style="margin: 0px; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: normal; font-stretch: normal; font-size: 12px;
line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);
background-color: rgb(255, 255, 255);">
<span style="font-variant-ligatures: no-common-ligatures;">
au188 k=0 user=0 wallclock=0</span></p>
<p style="margin: 0px; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: normal; font-stretch: normal; font-size: 12px;
line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);
background-color: rgb(255, 255, 255);">
<span style="font-variant-ligatures: no-common-ligatures;">121367.583u
33215.702s 2:41:06.83 1599.1% 0+0k 288+29487024io
121pf+0w</span></p>
<p style="margin: 0px; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: normal; font-stretch: normal; font-size: 12px;
line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);
background-color: rgb(255, 255, 255);">
<span style="font-variant-ligatures: no-common-ligatures;">>
lapw1 -dn -p -c (04:17:27) starting parallel lapw1 at
Sat Nov 12 04:17:27 CET 2016</span></p>
<p style="margin: 0px; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: normal; font-stretch: normal; font-size: 12px;
line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);
background-color: rgb(255, 255, 255);">
<span style="font-variant-ligatures: no-common-ligatures;">->
starting parallel LAPW1 jobs at Sat Nov 12 04:17:27 CET 2016</span></p>
<p style="margin: 0px; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: normal; font-stretch: normal; font-size: 12px;
line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);
background-color: rgb(255, 255, 255);">
<span style="font-variant-ligatures: no-common-ligatures;">running
LAPW1 in parallel mode (using .machines.help)</span></p>
<p style="margin: 0px; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: normal; font-stretch: normal; font-size: 12px;
line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);
background-color: rgb(255, 255, 255);">
<span style="font-variant-ligatures: no-common-ligatures;">1
number_of_parallel_jobs</span></p>
<p style="margin: 0px; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: normal; font-stretch: normal; font-size: 12px;
line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);
background-color: rgb(255, 255, 255);">
<span style="font-variant-ligatures: no-common-ligatures;">
au188 au188 au188 au188 au188 au188 au188 au188 au188
au188 au188 au188 au188 au188 au188 au188(1) 233187.228u
100041.449s 5:47:30.00 1598.2% 0+0k 5832+35169304io
116pf+0w</span></p>
<p style="margin: 0px; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: normal; font-stretch: normal; font-size: 12px;
line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);
background-color: rgb(255, 255, 255);">
<span style="font-variant-ligatures: no-common-ligatures;">
Summary of lapw1para:</span></p>
<p style="margin: 0px; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: normal; font-stretch: normal; font-size: 12px;
line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);
background-color: rgb(255, 255, 255);">
<span style="font-variant-ligatures: no-common-ligatures;">
au188 k=0 user=0 wallclock=0</span></p>
<p style="margin: 0px; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: normal; font-stretch: normal; font-size: 12px;
line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);
background-color: rgb(255, 255, 255);">
<span style="font-variant-ligatures: no-common-ligatures;">233263.580u
100102.639s 5:47:31.69 1598.7% 0+0k 6296+35170640io
118pf+0w</span></p>
<p style="margin: 0px; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: normal; font-stretch: normal; font-size: 12px;
line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);
background-color: rgb(255, 255, 255);">
<span style="font-variant-ligatures: no-common-ligatures;">>
lapwso -up -p -c (10:04:59) running LAPWSO in parallel
mode</span></p>
<p style="margin: 0px; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: normal; font-stretch: normal; font-size: 12px;
line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);
background-color: rgb(255, 255, 255);">
<span style="font-variant-ligatures: no-common-ligatures;">**
LAPWSO crashed!</span></p>
<p style="margin: 0px; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: normal; font-stretch: normal; font-size: 12px;
line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);
background-color: rgb(255, 255, 255);">
<span style="font-variant-ligatures: no-common-ligatures;">1233.319u
23.612s 21:29.72 97.4% 0+0k 13064+7712io 17pf+0w</span></p>
<p style="margin: 0px; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: normal; font-stretch: normal; font-size: 12px;
line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);
background-color: rgb(255, 255, 255);">
<span style="font-variant-ligatures: no-common-ligatures;">error:
command
/lunarc/nobackup/users/eishfh/SRC/Wien2k14.2-iomkl/lapwsopara
-up -c lapwso.def failed</span></p>
<p style="margin: 0px; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: normal; font-stretch: normal; font-size: 12px;
line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);
background-color: rgb(255, 255, 255); min-height: 14px;">
<span style="font-variant-ligatures: no-common-ligatures;"></span><br>
</p>
<p style="margin: 0px; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: normal; font-stretch: normal; font-size: 12px;
line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);
background-color: rgb(255, 255, 255);">
<span style="font-variant-ligatures: no-common-ligatures;">>
stop error</span></p>
-----------------------
<div><br>
</div>
<div>lapwso.error file:</div>
<div><br>
</div>
<p style="margin: 0px; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: normal; font-stretch: normal; font-size: 12px;
line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);
background-color: rgb(255, 255, 255);">
<span style="font-variant-ligatures: no-common-ligatures;">**
Error in Parallel LAPWSO</span></p>
<p style="margin: 0px; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: normal; font-stretch: normal; font-size: 12px;
line-height: normal; font-family: Menlo; color: rgb(0, 0, 0);
background-color: rgb(255, 255, 255);">
<span style="font-variant-ligatures: no-common-ligatures;">**
Error in Parallel LAPWSO</span></p>
<div><br>
</div>
-----------------------
<div><br>
output error file:
<div><br>
</div>
<div>
<p style="margin: 0px; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: normal; font-stretch: normal; font-size:
12px; line-height: normal; font-family: Menlo; color:
rgb(0, 0, 0); background-color: rgb(255, 255, 255);">
<span style="font-variant-ligatures: no-common-ligatures;"> LAPW0
END</span></p>
<p style="margin: 0px; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: normal; font-stretch: normal; font-size:
12px; line-height: normal; font-family: Menlo; color:
rgb(0, 0, 0); background-color: rgb(255, 255, 255);">
<span style="font-variant-ligatures: no-common-ligatures;"> LAPW1
END</span></p>
<p style="margin: 0px; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: normal; font-stretch: normal; font-size:
12px; line-height: normal; font-family: Menlo; color:
rgb(0, 0, 0); background-color: rgb(255, 255, 255);">
<span style="font-variant-ligatures: no-common-ligatures;"> LAPW1
END</span></p>
<p style="margin: 0px; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: normal; font-stretch: normal; font-size:
12px; line-height: normal; font-family: Menlo; color:
rgb(0, 0, 0); background-color: rgb(255, 255, 255);">
<span style="font-variant-ligatures: no-common-ligatures;">forrtl:
severe (39): error during read, unit 9, file
/lunarc/nobackup/users/eishfh/WIEN2k/GaAs_ZB/David_project/3</span><span
style="font-variant-ligatures: no-common-ligatures;
background-color: rgb(230, 230, 0);">Mn</span><span
style="font-variant-ligatures: no-common-ligatures;">001/ALL/test-so/3</span><span
style="font-variant-ligatures: no-common-ligatures;
background-color: rgb(230, 230, 0);">Mn</span><span
style="font-variant-ligatures: no-common-ligatures;">/./3</span><span
style="font-variant-ligatures: no-common-ligatures;
background-color: rgb(230, 230, 0);">Mn</span><span
style="font-variant-ligatures: no-common-ligatures;">.vectordn_1</span></p>
<p style="margin: 0px; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: normal; font-stretch: normal; font-size:
12px; line-height: normal; font-family: Menlo; color:
rgb(0, 0, 0); background-color: rgb(255, 255, 255);">
<span style="font-variant-ligatures: no-common-ligatures;">Image
PC Routine Line
Source</span></p>
<p style="margin: 0px; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: normal; font-stretch: normal; font-size:
12px; line-height: normal; font-family: Menlo; color:
rgb(0, 0, 0); background-color: rgb(255, 255, 255);">
<span style="font-variant-ligatures: no-common-ligatures;">lapwso_mpi
00000000004634E3 Unknown Unknown
Unknown</span></p>
<p style="margin: 0px; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: normal; font-stretch: normal; font-size:
12px; line-height: normal; font-family: Menlo; color:
rgb(0, 0, 0); background-color: rgb(255, 255, 255);">
<span style="font-variant-ligatures: no-common-ligatures;">lapwso_mpi
000000000047F3C4 Unknown Unknown
Unknown</span></p>
<p style="margin: 0px; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: normal; font-stretch: normal; font-size:
12px; line-height: normal; font-family: Menlo; color:
rgb(0, 0, 0); background-color: rgb(255, 255, 255);">
<span style="font-variant-ligatures: no-common-ligatures;">lapwso_mpi
000000000042BA1F kptin_ 56
kptin.F</span></p>
<p style="margin: 0px; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: normal; font-stretch: normal; font-size:
12px; line-height: normal; font-family: Menlo; color:
rgb(0, 0, 0); background-color: rgb(255, 255, 255);">
<span style="font-variant-ligatures: no-common-ligatures;">lapwso_mpi
0000000000431566 MAIN__ 523
lapwso.F</span></p>
<p style="margin: 0px; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: normal; font-stretch: normal; font-size:
12px; line-height: normal; font-family: Menlo; color:
rgb(0, 0, 0); background-color: rgb(255, 255, 255);">
<span style="font-variant-ligatures: no-common-ligatures;">lapwso_mpi
000000000040B3EE Unknown Unknown
Unknown</span></p>
<p style="margin: 0px; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: normal; font-stretch: normal; font-size:
12px; line-height: normal; font-family: Menlo; color:
rgb(0, 0, 0); background-color: rgb(255, 255, 255);">
<span style="font-variant-ligatures: no-common-ligatures;">libc.so.6
00002BA34EDECB15 Unknown Unknown
Unknown</span></p>
<p style="margin: 0px; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: normal; font-stretch: normal; font-size:
12px; line-height: normal; font-family: Menlo; color:
rgb(0, 0, 0); background-color: rgb(255, 255, 255);">
<span style="font-variant-ligatures: no-common-ligatures;">lapwso_mpi
000000000040B2E9 Unknown Unknown
Unknown</span></p>
<div><br>
</div>
<div>-----------------------</div>
<br>
<br>
Thanks,</div>
<div>Fhokrul</div>
</div>
</div>
</blockquote>
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