<html xmlns:v="urn:schemas-microsoft-com:vml" xmlns:o="urn:schemas-microsoft-com:office:office" xmlns:w="urn:schemas-microsoft-com:office:word" xmlns:m="http://schemas.microsoft.com/office/2004/12/omml" xmlns="http://www.w3.org/TR/REC-html40">
<head>
<meta http-equiv="Content-Type" content="text/html; charset=us-ascii">
<meta name="Generator" content="Microsoft Word 14 (filtered medium)">
<style><!--
/* Font Definitions */
@font-face
{font-family:SimSun;
panose-1:2 1 6 0 3 1 1 1 1 1;}
@font-face
{font-family:"Cambria Math";
panose-1:2 4 5 3 5 4 6 3 2 4;}
@font-face
{font-family:Calibri;
panose-1:2 15 5 2 2 2 4 3 2 4;}
@font-face
{font-family:SimSun;
panose-1:2 1 6 0 3 1 1 1 1 1;}
/* Style Definitions */
p.MsoNormal, li.MsoNormal, div.MsoNormal
{margin:0cm;
margin-bottom:.0001pt;
text-align:justify;
text-justify:inter-ideograph;
font-size:10.5pt;
font-family:"Calibri","sans-serif";}
a:link, span.MsoHyperlink
{mso-style-priority:99;
color:blue;
text-decoration:underline;}
a:visited, span.MsoHyperlinkFollowed
{mso-style-priority:99;
color:purple;
text-decoration:underline;}
span.EmailStyle17
{mso-style-type:personal-compose;
font-family:"Calibri","sans-serif";
color:windowtext;}
.MsoChpDefault
{mso-style-type:export-only;
font-size:10.5pt;}
@page WordSection1
{size:612.0pt 792.0pt;
margin:72.0pt 90.0pt 72.0pt 90.0pt;}
div.WordSection1
{page:WordSection1;}
--></style><!--[if gte mso 9]><xml>
<o:shapedefaults v:ext="edit" spidmax="1026" />
</xml><![endif]--><!--[if gte mso 9]><xml>
<o:shapelayout v:ext="edit">
<o:idmap v:ext="edit" data="1" />
</o:shapelayout></xml><![endif]-->
</head>
<body lang="EN-US" link="blue" vlink="purple">
<div class="WordSection1">
<p class="MsoNormal"><span style="font-size:11.0pt">Dear </span>Filippo,<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">I have the intel compliers installed on my server, with QE-5.2.0 I am able to configure and make without issues.<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">I used ./configure CC=icc F90=ifort F77=ifort MPIF90=mpiifort
<o:p></o:p></p>
<p class="MsoNormal">./PW/tests/check-pw.x.j runs all okay<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">I have copied GPU to the espresso-5.2.0 folder and I noticed that for parallel configuration, I need to do<o:p></o:p></p>
<p class="MsoNormal">$ cd GPU<o:p></o:p></p>
<p class="MsoNormal">$ ./configure --enable-parallel --enable-openmp --with-scalapack \<o:p></o:p></p>
<p class="MsoNormal"> --enable-cuda --with-gpu-arch=sm_35 \<o:p></o:p></p>
<p class="MsoNormal"> --with-cuda-dir=<full-path-where-CUDA-is-installed> \<o:p></o:p></p>
<p class="MsoNormal"> --without-magma --with-phigemm<o:p></o:p></p>
<p class="MsoNormal">$ cd ..<o:p></o:p></p>
<p class="MsoNormal">$ make -f Makefile.gpu pw-gpu <o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">These looks like using non-intel compliers, so can I use the following intead?<o:p></o:p></p>
<p class="MsoNormal">$ cd GPU<o:p></o:p></p>
<p class="MsoNormal">$ ./configure CC=icc F90=ifort F77=ifort MPIF90=mpiifort \<span style="font-size:11.0pt"><o:p></o:p></span></p>
<p class="MsoNormal">--enable-parallel --enable-openmp --with-scalapack \<o:p></o:p></p>
<p class="MsoNormal">--enable-cuda --with-gpu-arch=sm_35 \<o:p></o:p></p>
<p class="MsoNormal">--with-cuda-dir=<full-path-where-CUDA-is-installed> \<o:p></o:p></p>
<p class="MsoNormal">--without-magma --with-phigemm<o:p></o:p></p>
<p class="MsoNormal"><span style="font-size:11.0pt"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt">Thank you,<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt">Rolly<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt"><o:p> </o:p></span></p>
<p class="MsoNormal" align="left" style="text-align:left"><span style="font-size:12.0pt">PhD, Research Fellow,<o:p></o:p></span></p>
<p class="MsoNormal" align="left" style="text-align:left"><span style="font-size:12.0pt">Department of Physics and Materials Science,<o:p></o:p></span></p>
<p class="MsoNormal" align="left" style="text-align:left"><span style="font-size:12.0pt">City University of Hong Kong<o:p></o:p></span></p>
<p class="MsoNormal" align="left" style="text-align:left"><span style="font-size:12.0pt">Tel: +852 3442 4000<o:p></o:p></span></p>
<p class="MsoNormal" align="left" style="text-align:left"><span style="font-size:12.0pt">Fax:+852 3442 0538<o:p></o:p></span></p>
<p class="MsoNormal"><o:p> </o:p></p>
</div>
<br>
<br>
<p style="font-size: x-small; font-family: 'Times New Roman', Times, serif; font-style: italic">
Disclaimer: This email (including any attachments) is for the use of the intended recipient only and may contain confidential information and/or copyright material. If you are not the intended recipient, please notify the sender immediately and delete this
email and all copies from your system. Any unauthorized use, disclosure, reproduction, copying, distribution, or other form of unauthorized dissemination of the contents is expressly prohibited.</p>
</body>
</html>