<html>
<head>
<meta content="text/html; charset=windows-1252"
http-equiv="Content-Type">
</head>
<body bgcolor="#FFFFFF" text="#000000">
<div class="moz-cite-prefix"><span style="font-family: Calibri,
Arial, Helvetica, sans-serif, "Apple Color Emoji",
"Segoe UI Emoji", NotoColorEmoji, "Segoe UI
Symbol", "Android Emoji", EmojiSymbols;
font-size: 16px;"><span style="font-family: Calibri, Arial,
Helvetica, sans-serif, "Apple Color Emoji",
"Segoe UI Emoji", NotoColorEmoji, "Segoe UI
Symbol", "Android Emoji", EmojiSymbols;
font-size: 16px;"><span style="font-family: Calibri, Arial,
Helvetica, sans-serif, "Apple Color Emoji",
"Segoe UI Emoji", NotoColorEmoji, "Segoe UI
Symbol", "Android Emoji", EmojiSymbols;
font-size: 16px;"></span></span></span>Ok, I agree that it
is likely not due to the set up of the scratch directory.<br>
<br>
What version of ifort was used? If you happened to use
16.0.3.210, maybe it is caused by an ifort bug [
<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>
<br>
Perhaps you can use the linux "od" command to try to troubleshot
and identify what the data mismatch is between the writing and
reading of the 3Mn.vectordn_1 file, similar to what is described
on the web pages at:<br>
<br>
<a class="moz-txt-link-freetext" href="https://software.intel.com/en-us/forums/intel-fortran-compiler-for-linux-and-mac-os-x/topic/269993">https://software.intel.com/en-us/forums/intel-fortran-compiler-for-linux-and-mac-os-x/topic/269993</a><br>
<a class="moz-txt-link-freetext" href="https://software.intel.com/en-us/forums/intel-fortran-compiler-for-linux-and-mac-os-x/topic/270436">https://software.intel.com/en-us/forums/intel-fortran-compiler-for-linux-and-mac-os-x/topic/270436</a><br>
<a class="moz-txt-link-freetext" href="https://software.intel.com/en-us/forums/intel-fortran-compiler-for-linux-and-mac-os-x/topic/268503">https://software.intel.com/en-us/forums/intel-fortran-compiler-for-linux-and-mac-os-x/topic/268503</a><br>
<br>
Though, it might be harder to diagnose with the large
3Mn.vectordn_1, which looks to be about 12 GB. So you may want to
create a mpi SO calculation that creates a smaller case.vectordn_1
for that.<br>
<br>
On 11/13/2016 7:30 AM, Md. Fhokrul Islam wrote:<br>
</div>
<blockquote
cite="mid:BY1PR13MB02784CDF189F0AF6CC2DFD94D3BD0@BY1PR13MB0278.namprd13.prod.outlook.com"
type="cite">
<meta http-equiv="Content-Type" content="text/html;
charset=windows-1252">
<style type="text/css" style="display:none;"><!-- P {margin-top:0;margin-bottom:0;} --></style>
<div id="divtagdefaultwrapper"
style="font-size:12pt;color:#000000;font-family:Calibri,Arial,Helvetica,sans-serif;"
dir="ltr">
<p>Hi Gavin,</p>
<p><br>
</p>
<p> In my .bashrc scratch is defined as <span
style="font-family: Calibri, Arial, Helvetica, sans-serif,
"Apple Color Emoji", "Segoe UI Emoji",
NotoColorEmoji, "Segoe UI Symbol", "Android
Emoji", EmojiSymbols; font-size: 16px;">$SCRATCH = ./
so if I use the command</span></p>
<p><span style="font-family: Calibri, Arial, Helvetica,
sans-serif, "Apple Color Emoji", "Segoe UI
Emoji", NotoColorEmoji, "Segoe UI Symbol",
"Android Emoji", EmojiSymbols; font-size: 16px;"><span
style="font-family: Calibri, Arial, Helvetica, sans-serif,
"Apple Color Emoji", "Segoe UI Emoji",
NotoColorEmoji, "Segoe UI Symbol", "Android
Emoji", EmojiSymbols; font-size: 16px;">echo
$SCRATCH, it always returns ./ </span><br>
</span></p>
<p><span style="font-family: Calibri, Arial, Helvetica,
sans-serif, "Apple Color Emoji", "Segoe UI
Emoji", NotoColorEmoji, "Segoe UI Symbol",
"Android Emoji", EmojiSymbols; font-size: 16px;"><span
style="font-family: Calibri, Arial, Helvetica, sans-serif,
"Apple Color Emoji", "Segoe UI Emoji",
NotoColorEmoji, "Segoe UI Symbol", "Android
Emoji", EmojiSymbols; font-size: 16px;"><br>
</span></span></p>
<p><span style="font-family: Calibri, Arial, Helvetica,
sans-serif, "Apple Color Emoji", "Segoe UI
Emoji", NotoColorEmoji, "Segoe UI Symbol",
"Android Emoji", EmojiSymbols; font-size: 16px;"><span
style="font-family: Calibri, Arial, Helvetica, sans-serif,
"Apple Color Emoji", "Segoe UI Emoji",
NotoColorEmoji, "Segoe UI Symbol", "Android
Emoji", EmojiSymbols; font-size: 16px;">For large
jobs, I use local temporary directory that is associated
with each node </span></span></p>
<p><span style="font-family: Calibri, Arial, Helvetica,
sans-serif, "Apple Color Emoji", "Segoe UI
Emoji", NotoColorEmoji, "Segoe UI Symbol",
"Android Emoji", EmojiSymbols; font-size: 16px;"><span
style="font-family: Calibri, Arial, Helvetica, sans-serif,
"Apple Color Emoji", "Segoe UI Emoji",
NotoColorEmoji, "Segoe UI Symbol", "Android
Emoji", EmojiSymbols; font-size: 16px;">in
our system and is given by $SNIC_TMP. This temporary
directory is created </span></span></p>
<p><span style="font-family: Calibri, Arial, Helvetica,
sans-serif, "Apple Color Emoji", "Segoe UI
Emoji", NotoColorEmoji, "Segoe UI Symbol",
"Android Emoji", EmojiSymbols; font-size: 16px;"><span
style="font-family: Calibri, Arial, Helvetica, sans-serif,
"Apple Color Emoji", "Segoe UI Emoji",
NotoColorEmoji, "Segoe UI Symbol", "Android
Emoji", EmojiSymbols; font-size: 16px;">on fly, so I
set <span style="font-family: Calibri, Arial, Helvetica,
sans-serif, "Apple Color Emoji", "Segoe
UI Emoji", NotoColorEmoji, "Segoe UI
Symbol", "Android Emoji", EmojiSymbols;
font-size: 16px;">$SCRATCH = <span style="font-family:
Calibri, Arial, Helvetica, sans-serif, "Apple
Color Emoji", "Segoe UI Emoji",
NotoColorEmoji, "Segoe UI Symbol",
"Android Emoji", EmojiSymbols; font-size:
16px;">$SNIC_TMP in my job submission script.</span> As
I said</span></span></span></p>
<p><span style="font-family: Calibri, Arial, Helvetica,
sans-serif, "Apple Color Emoji", "Segoe UI
Emoji", NotoColorEmoji, "Segoe UI Symbol",
"Android Emoji", EmojiSymbols; font-size: 16px;"><span
style="font-family: Calibri, Arial, Helvetica, sans-serif,
"Apple Color Emoji", "Segoe UI Emoji",
NotoColorEmoji, "Segoe UI Symbol", "Android
Emoji", EmojiSymbols; font-size: 16px;"><span
style="font-family: Calibri, Arial, Helvetica,
sans-serif, "Apple Color Emoji", "Segoe
UI Emoji", NotoColorEmoji, "Segoe UI
Symbol", "Android Emoji", EmojiSymbols;
font-size: 16px;">this set up works fine if I do MPI
calculations without spin-orbit and I get converged</span></span></span></p>
<p><span style="font-family: Calibri, Arial, Helvetica,
sans-serif, "Apple Color Emoji", "Segoe UI
Emoji", NotoColorEmoji, "Segoe UI Symbol",
"Android Emoji", EmojiSymbols; font-size: 16px;"><span
style="font-family: Calibri, Arial, Helvetica, sans-serif,
"Apple Color Emoji", "Segoe UI Emoji",
NotoColorEmoji, "Segoe UI Symbol", "Android
Emoji", EmojiSymbols; font-size: 16px;"><span
style="font-family: Calibri, Arial, Helvetica,
sans-serif, "Apple Color Emoji", "Segoe
UI Emoji", NotoColorEmoji, "Segoe UI
Symbol", "Android Emoji", EmojiSymbols;
font-size: 16px;">results. But if I submit the job after
initializing with spin-orbit, it crashes at lapwso.</span></span></span></p>
<p><span style="font-family: Calibri, Arial, Helvetica,
sans-serif, "Apple Color Emoji", "Segoe UI
Emoji", NotoColorEmoji, "Segoe UI Symbol",
"Android Emoji", EmojiSymbols; font-size: 16px;"><span
style="font-family: Calibri, Arial, Helvetica, sans-serif,
"Apple Color Emoji", "Segoe UI Emoji",
NotoColorEmoji, "Segoe UI Symbol", "Android
Emoji", EmojiSymbols; font-size: 16px;"><span
style="font-family: Calibri, Arial, Helvetica,
sans-serif, "Apple Color Emoji", "Segoe
UI Emoji", NotoColorEmoji, "Segoe UI
Symbol", "Android Emoji", EmojiSymbols;
font-size: 16px;">SO I think problem is probably not due
to the set up with scratch directory, it is</span></span></span></p>
<p><span style="font-family: Calibri, Arial, Helvetica,
sans-serif, "Apple Color Emoji", "Segoe UI
Emoji", NotoColorEmoji, "Segoe UI Symbol",
"Android Emoji", EmojiSymbols; font-size: 16px;"><span
style="font-family: Calibri, Arial, Helvetica, sans-serif,
"Apple Color Emoji", "Segoe UI Emoji",
NotoColorEmoji, "Segoe UI Symbol", "Android
Emoji", EmojiSymbols; font-size: 16px;"><span
style="font-family: Calibri, Arial, Helvetica,
sans-serif, "Apple Color Emoji", "Segoe
UI Emoji", NotoColorEmoji, "Segoe UI
Symbol", "Android Emoji", EmojiSymbols;
font-size: 16px;">something to do with MPI version of
LAPWSO.</span></span></span></p>
<p><span style="font-family: Calibri, Arial, Helvetica,
sans-serif, "Apple Color Emoji", "Segoe UI
Emoji", NotoColorEmoji, "Segoe UI Symbol",
"Android Emoji", EmojiSymbols; font-size: 16px;"><span
style="font-family: Calibri, Arial, Helvetica, sans-serif,
"Apple Color Emoji", "Segoe UI Emoji",
NotoColorEmoji, "Segoe UI Symbol", "Android
Emoji", EmojiSymbols; font-size: 16px;"><span
style="font-family: Calibri, Arial, Helvetica,
sans-serif, "Apple Color Emoji", "Segoe
UI Emoji", NotoColorEmoji, "Segoe UI
Symbol", "Android Emoji", EmojiSymbols;
font-size: 16px;"><br>
</span></span></span></p>
<p><span style="font-family: Calibri, Arial, Helvetica,
sans-serif, "Apple Color Emoji", "Segoe UI
Emoji", NotoColorEmoji, "Segoe UI Symbol",
"Android Emoji", EmojiSymbols; font-size: 16px;"><span
style="font-family: Calibri, Arial, Helvetica, sans-serif,
"Apple Color Emoji", "Segoe UI Emoji",
NotoColorEmoji, "Segoe UI Symbol", "Android
Emoji", EmojiSymbols; font-size: 16px;"><span
style="font-family: Calibri, Arial, Helvetica,
sans-serif, "Apple Color Emoji", "Segoe
UI Emoji", NotoColorEmoji, "Segoe UI
Symbol", "Android Emoji", EmojiSymbols;
font-size: 16px;"><br>
</span></span></span></p>
<p><span style="font-family: Calibri, Arial, Helvetica,
sans-serif, "Apple Color Emoji", "Segoe UI
Emoji", NotoColorEmoji, "Segoe UI Symbol",
"Android Emoji", EmojiSymbols; font-size: 16px;"><span
style="font-family: Calibri, Arial, Helvetica, sans-serif,
"Apple Color Emoji", "Segoe UI Emoji",
NotoColorEmoji, "Segoe UI Symbol", "Android
Emoji", EmojiSymbols; font-size: 16px;"><span
style="font-family: Calibri, Arial, Helvetica,
sans-serif, "Apple Color Emoji", "Segoe
UI Emoji", NotoColorEmoji, "Segoe UI
Symbol", "Android Emoji", EmojiSymbols;
font-size: 16px;">Thanks for your comment.</span></span></span></p>
<p><span style="font-family: Calibri, Arial, Helvetica,
sans-serif, "Apple Color Emoji", "Segoe UI
Emoji", NotoColorEmoji, "Segoe UI Symbol",
"Android Emoji", EmojiSymbols; font-size: 16px;"><span
style="font-family: Calibri, Arial, Helvetica, sans-serif,
"Apple Color Emoji", "Segoe UI Emoji",
NotoColorEmoji, "Segoe UI Symbol", "Android
Emoji", EmojiSymbols; font-size: 16px;"><span
style="font-family: Calibri, Arial, Helvetica,
sans-serif, "Apple Color Emoji", "Segoe
UI Emoji", NotoColorEmoji, "Segoe UI
Symbol", "Android Emoji", EmojiSymbols;
font-size: 16px;"><br>
</span></span></span></p>
<p><span style="font-family: Calibri, Arial, Helvetica,
sans-serif, "Apple Color Emoji", "Segoe UI
Emoji", NotoColorEmoji, "Segoe UI Symbol",
"Android Emoji", EmojiSymbols; font-size: 16px;"><span
style="font-family: Calibri, Arial, Helvetica, sans-serif,
"Apple Color Emoji", "Segoe UI Emoji",
NotoColorEmoji, "Segoe UI Symbol", "Android
Emoji", EmojiSymbols; font-size: 16px;"><span
style="font-family: Calibri, Arial, Helvetica,
sans-serif, "Apple Color Emoji", "Segoe
UI Emoji", NotoColorEmoji, "Segoe UI
Symbol", "Android Emoji", EmojiSymbols;
font-size: 16px;">Fhokrul</span></span></span></p>
</div>
</blockquote>
</body>
</html>