<div dir="ltr"><div>Thank you So much sir. I was facing the problem since from last month. I am sorry to disturb you and as Prof. Laurence Marks replied to me " sory for the excuse " I will never try to use such words again. I am extremely sorry. <br></div><div><br></div><div>Thank you again. Now I will learn how to deal with the calculations, If any problem arise you please help me sir.</div><div><br></div><div><br></div><div>Thanking you</div><div>Indranil <br></div><table class="gmail-cf gmail-gJ" width="1" height="3" cellpadding="0"><tbody><tr><td class="gmail-gF gmail-gK" style="width:auto"></td><td class="gmail-gF gmail-gK"><br></td></tr></tbody></table></div><br><div class="gmail_quote"><div dir="ltr">On Sat, Sep 1, 2018 at 6:31 PM Gavin Abo <<a href="mailto:gsabo@crimson.ua.edu">gsabo@crimson.ua.edu</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div text="#000000" bgcolor="#FFFFFF">
<p>You need to install and use BLAS.</p>
<p>I'm not as familiar with scalapack. I believe that is only
needed for a mpi parallel compile. The mpi is useless for a
single computer [
<a class="m_-8303450821152511709moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg03793.html" target="_blank">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg03793.html</a>
,
<a class="m_-8303450821152511709moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg09334.html" target="_blank">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg09334.html</a>
]. However, it is better to ask your cluster admin about that if
you will be using mpi parallel, because usually they have a
specific scalapack already installed that you would need to use.</p>
<p>If you decide to use the operating system openblas and lapack
package, I tried it and it seems to compile just fine using
compile settings below:<br>
</p>
<p>username@computername:~$ lsb_release -a<br>
No LSB modules are available.<br>
Distributor ID: Ubuntu<br>
Description: Ubuntu 18.04.1 LTS<br>
Release: 18.04<br>
Codename: bionic<br>
...<br>
username@computername:~$ sudo apt install liblapack-dev<br>
...<br>
Do you want to continue? [Y/n] Y<br>
username@computername:~$ sudo apt install libopenblas-dev<br>
...<br>
username@computername:/usr/include$ ls
/usr/lib/x86_64-linux-gnu/lapack/<br>
liblapack.a liblapack.so liblapack.so.3 liblapack.so.3.7.1<br>
username@computername:/usr/include$ ls
/usr/lib/x86_64-linux-gnu/openblas/<br>
libblas.a libblas.so libblas.so.3 liblapack.a liblapack.so
liblapack.so.3<br>
<br>
O Compiler options: -ffree-form -O2
-ffree-line-length-none<br>
L Linker Flags: $(FOPT)<br>
P Preprocessor flags '-DParallel'<br>
R R_LIBS (LAPACK+BLAS): -llapack -lblas -lpthread<br>
</p>
<div class="m_-8303450821152511709moz-cite-prefix">On 9/1/2018 12:10 PM, Indranil mal
wrote:<br>
</div>
<blockquote type="cite">
<div dir="ltr">
<div>Any specific directory I have to install it or any?</div>
<div><br>
</div>
<div><br>
</div>
<div>Thanking you</div>
<div>Indranil</div>
<div><br>
</div>
</div>
<br>
<div class="gmail_quote">
<div dir="ltr">On Sat, Sep 1, 2018 at 11:28 PM Indranil mal <<a href="mailto:indranil.mal@gmail.com" target="_blank">indranil.mal@gmail.com</a>>
wrote:<br>
</div>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div dir="ltr">I have <b>scalapack-2.0.2 </b>will it be all
right to install or I have to follow use BLAS<br>
</div>
</blockquote>
</div>
</blockquote>
</div>
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