<html>
<head>
<meta http-equiv="Content-Type" content="text/html; charset=utf-8">
</head>
<body text="#000000" bgcolor="#FFFFFF">
<p><font face="Times New Roman">The SSD is probably faster than the
HDD for read/writing, but it may vary with hardware. Also, the
data write time can be slower than the read time for the SSD. [
<a class="moz-txt-link-freetext" href="https://www.kompulsa.com/whats-difference-ssd-hard-drive/">https://www.kompulsa.com/whats-difference-ssd-hard-drive/</a> ]. So
I would probably run a test calculation on both and compare the
walltimes. <br>
</font></p>
<p><font face="Times New Roman">For reading data, the SSD should be
better, so I would put the OS and WIEN2k installation on the
SSD. For writing of data, if calculation time is your concern,
then it may be better to put to put the WIEN2k calculation data
on the SSD (path set during userconfig_lapw). If drive lifetime
is a concern, because frequent scf cycle writing will reduce the
drives lifetime [
<a class="moz-txt-link-freetext" href="https://blog.westerndigital.com/ssd-endurance-speeds-feeds-needs/">https://blog.westerndigital.com/ssd-endurance-speeds-feeds-needs/</a>
], then put it on the HDD. After the calculation finishes
running on the SDD, you could also just copy the data to the HDD
for storage.</font></p>
<p><font face="Times New Roman">Regarding the "No compatible python
found", that might be for BerryPI. I think it uses python 2.7.
So, if you don't use BerryPI, then it should not be important
for WIEN2k installation. <br>
</font></p>
<p><font face="Times New Roman">BoltzTraP2 needs python 3.5 or
higher [
<a class="moz-txt-link-freetext" href="https://www.imc.tuwien.ac.at/forschungsbereich_theoretische_chemie/forschungsgruppen/prof_dr_gkh_madsen_theoretical_materials_chemistry/boltztrap2/">https://www.imc.tuwien.ac.at/forschungsbereich_theoretische_chemie/forschungsgruppen/prof_dr_gkh_madsen_theoretical_materials_chemistry/boltztrap2/</a>
]. With Ubuntu 16.04 LTS and later, I think those can both be
installed with something like [
<a class="moz-txt-link-freetext" href="https://askubuntu.com/questions/981118/correct-way-to-install-python-2-7-on-ubuntu-17-10/981279">https://askubuntu.com/questions/981118/correct-way-to-install-python-2-7-on-ubuntu-17-10/981279</a>
]:</font></p>
<p><font face="Times New Roman">sudo apt-get install python</font></p>
<p><font face="Times New Roman">sudo apt-get install python3</font></p>
<p><font face="Times New Roman">For "32-bit libraries not found", I
don't remember what the packages needed are, but those likely
can be installed with apt-get as well.<br>
</font></p>
<div class="moz-cite-prefix">On 5/14/2018 5:48 AM, Victor Zenou
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CAOFFwJ46MmQ2hwCqz5+ZPK+8sojf2KF0ZeZtvJRNHDE1jty0jQ@mail.gmail.com">
<div dir="rtl">
<div dir="ltr">Hi</div>
<div dir="ltr">2. For some reason I didn't look up at 'System
Requirements' for Parallel studio xe 2018. It is only
supported for Ubuntu versions 14.04, 16.04, 17.04
<div dir="ltr">I will try Ubuntu 17.04. (probably its better
to avoid installation at late night :)) </div>
</div>
<div dir="ltr">Another option is probably use gfortran, which is
far as I understand is less better than ifort.</div>
<div dir="ltr"><br>
</div>
<div dir="ltr">1. I guess that since a lot of writing to disk,
SSD would be better for OS, Wien2k and Wien2k data.</div>
<div dir="ltr"><br>
</div>
<div dir="ltr">Thanks, Victor</div>
<div dir="ltr"><br>
</div>
<div dir="ltr"><br>
</div>
</div>
<div class="gmail_extra"><br>
<div class="gmail_quote">
<div dir="ltr">2018-05-14 13:17 GMT+03:00 Laurence Marks <span
dir="ltr"><<a href="mailto:L-marks@northwestern.edu"
target="_blank" moz-do-not-send="true">L-marks@northwestern.edu</a>></span>:</div>
<blockquote class="gmail_quote" style="margin:0
.8ex;border-left:1px #ccc solid;border-right:1px #ccc
solid;padding-left:1ex;padding-right:1ex">
<div dir="auto">I suggest that you do some simple "Hello
World" test ifort/icc compilations to check it ifort did
really install or not. I know the latest version would not
install on my cluster (or work) because the OS was too
old.<br>
<br>
<div data-smartmail="gmail_signature">_____<br>
Professor Laurence Marks<br>
"Research is to see what everybody else has seen, and to
think what nobody else has thought", Albert Szent-Gyorgi<br>
<a href="http://www.numis.northwestern.edu"
target="_blank" moz-do-not-send="true">www.numis.northwestern.edu</a></div>
</div>
<div class="HOEnZb">
<div class="h5"><br>
<div class="gmail_quote">
<div dir="ltr">On Mon, May 14, 2018, 1:18 AM Victor
Zenou <<a href="mailto:zanov@post.bgu.ac.il"
target="_blank" moz-do-not-send="true">zanov@post.bgu.ac.il</a>>
wrote:<br>
</div>
<blockquote class="gmail_quote" style="margin:0px 0px
0px
0.8ex;padding-left:1ex;border-left-color:rgb(204,204,204);border-left-width:1px;border-left-style:solid">
<div>
<div dir="rtl">
<p style="margin:0in 0in
8pt;text-align:left;unicode-bidi:embed;direction:ltr"
dir="LTR">
<span
style="color:black;line-height:107%;font-family:"Times
New Roman",serif;font-size:12pt">I
decided to upgrade to Wien2k_17.1 , as was
suggested</span><b><span
style="color:black;line-height:107%;font-size:13.5pt"><font
face="Calibri">.</font></span></b><span
style="color:black;line-height:107%;font-family:"Times New
Roman",serif;font-size:12pt">
</span></p>
<p style="margin:0in 0in
8pt;text-align:left;unicode-bidi:embed;direction:ltr"
dir="LTR">
<span
style="color:black;line-height:107%;font-family:"Times
New Roman",serif;font-size:12pt">I
installed the last version of Ubuntu, 18.04,
(supposed to be 64 bit) on PC with intel
Xeon processor. I have 2 drives: 256 GB SSD
and 500 SATA HDD.
</span></p>
<p style="margin:0in 0in
8pt;text-align:left;unicode-bidi:embed;direction:ltr"
dir="LTR">
<span
style="color:black;line-height:107%;font-family:"Times
New Roman",serif;font-size:12pt">First
question: Its known that SSD is much faster
than SATA or any HDD, and usually operating
systems are installed on SSD. Is it
important to install wien2k on SSD, as I
definitely want my wien2k data to be on the
bigger drive (500 GB)?</span></p>
<p style="margin:0in 0in
8pt;text-align:left;unicode-bidi:embed;direction:ltr"
dir="LTR">
<span
style="color:black;line-height:107%;font-family:"Times
New Roman",serif;font-size:12pt"> </span></p>
<p style="margin:0in 0in
0pt;text-align:left;line-height:normal;unicode-bidi:embed;direction:ltr"
dir="LTR">
<span
style="color:black;font-family:"Times
New Roman",serif;font-size:12pt">Second
question: In order to use 'ifort' and 'mkl
libraries' I tried to install Parallel
studio xe 2018, but got some errors
regarding to "</span><span
style="color:black;font-family:"Times
New Roman",serif;font-size:12pt"
lang="EN">Missing optional prerequisites":<br>
-- Unsupported OS<br>
-- Intel(R) Trace Analyzer and Collector
2018 for Linux* OS: Unsupported OS<br>
-- Intel(R) Cluster Checker 2018 Update 3
for Linux* OS: Unsupported OS<br>
-- Intel(R) VTune(TM) Amplifier XE 2018
update 2: Unsupported OS<br>
-- Intel(R) Inspector 2018: Unsupported OS<br>
-- Intel(R) Advisor 2018: Unsupported OS<br>
-- Driver build options are incomplete.
Drivers cannot be built.</span></p>
<p style="margin:0in 0in
8pt;text-align:left;unicode-bidi:embed;direction:ltr"
dir="LTR">
<span
style="color:black;line-height:107%;font-family:"Times
New Roman",serif;font-size:12pt"> </span></p>
<p style="margin:0in 0in
8pt;text-align:left;unicode-bidi:embed;direction:ltr"
dir="LTR">
<span
style="color:black;line-height:107%;font-family:"Times
New Roman",serif;font-size:12pt">I also
got:</span></p>
<p style="margin:0in 0in
8pt;text-align:left;unicode-bidi:embed;direction:ltr"
dir="LTR">
<span
style="color:black;line-height:107%;font-family:"Times
New Roman",serif;font-size:12pt">missing
system commands</span></p>
<p style="margin:0in 0in
8pt;text-align:left;unicode-bidi:embed;direction:ltr"
dir="LTR">
<span
style="color:black;line-height:107%;font-family:"Times
New Roman",serif;font-size:12pt">No
compatible python found</span></p>
<p style="margin:0in 0in
8pt;text-align:left;unicode-bidi:embed;direction:ltr"
dir="LTR">
<span
style="color:black;line-height:107%;font-family:"Times
New Roman",serif;font-size:12pt">32-bit
libraries not found (libstdc++ (including
libstdc++6), glibc and libgcc). Without
these libraries the compiler will not
function properly.
</span></p>
<p style="margin:0in 0in
8pt;text-align:left;unicode-bidi:embed;direction:ltr"
dir="LTR">
<span
style="color:black;line-height:107%;font-family:"Times
New Roman",serif;font-size:12pt"> </span></p>
<p style="margin:0in 0in
8pt;text-align:left;unicode-bidi:embed;direction:ltr"
dir="LTR">
<span
style="color:black;line-height:107%;font-family:"Times
New Roman",serif;font-size:12pt">Are
these "missing
</span><span
style="color:black;line-height:107%;font-family:"Times
New Roman",serif;font-size:12pt"
lang="EN">optional prerequisites</span><span
style="color:black;line-height:107%;font-family:"Times New
Roman",serif;font-size:12pt">"
important to wien2k installation?</span></p>
<p style="margin:0in 0in
8pt;text-align:left;unicode-bidi:embed;direction:ltr"
dir="LTR">
<span
style="color:black;line-height:107%;font-family:"Times
New Roman",serif;font-size:12pt"> </span></p>
<p style="margin:0in 0in
8pt;text-align:left;unicode-bidi:embed;direction:ltr"
dir="LTR">
<span
style="color:black;line-height:107%;font-family:"Times
New Roman",serif;font-size:12pt">Thanks,Victor
</span></p>
</div>
</div>
</blockquote>
</div>
</div>
</div>
</blockquote>
</div>
</div>
</blockquote>
</body>
</html>