<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=utf-8">
<meta name="Generator" content="Microsoft Word 14 (filtered medium)">
<style><!--
/* Font Definitions */
@font-face
{font-family:宋体;
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:Tahoma;
panose-1:2 11 6 4 3 5 4 4 2 4;}
@font-face
{font-family:楷体;
panose-1:2 1 6 9 6 1 1 1 1 1;}
@font-face
{font-family:"\@宋体";
panose-1:2 1 6 0 3 1 1 1 1 1;}
@font-face
{font-family:"\@楷体";
panose-1:2 1 6 9 6 1 1 1 1 1;}
/* Style Definitions */
p.MsoNormal, li.MsoNormal, div.MsoNormal
{margin:0cm;
margin-bottom:.0001pt;
font-size:12.0pt;
font-family:"Times New Roman","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-reply;
font-family:"Calibri","sans-serif";
color:#1F497D;}
.MsoChpDefault
{mso-style-type:export-only;
font-size:10.5pt;
font-family:"Calibri","sans-serif";}
@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;font-family:"Calibri","sans-serif";color:#1F497D">Hi,<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D">If you have updated version of Intel parallel studio, please try these<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D">./configure CC=icc CXX=icpc F90=ifort F77=ifort MPIF90=mpiifort \<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D"> BLAS_LIBS="-lmkl_intel_lp64 -lmkl_sequential -lmkl_core" \<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D"> SCALAPACK_LIBS="-lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64" \<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D"> FFT_LIBS="-lmkl_intel_lp64 -lmkl_sequential -lmkl_core"<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D">It works for me.<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-family:"Calibri","sans-serif";color:#1F497D">PhD, Research Fellow,<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-family:"Calibri","sans-serif";color:#1F497D">Department of Physics and Materials Science,<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-family:"Calibri","sans-serif";color:#1F497D">City University of Hong Kong<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-family:"Calibri","sans-serif";color:#1F497D">Tel: +852 3442 4000<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-family:"Calibri","sans-serif";color:#1F497D">Fax:+852 3442 0538<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D"><o:p> </o:p></span></p>
<p class="MsoNormal"><b><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif"">From:</span></b><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif""> pw_forum-bounces@pwscf.org [mailto:pw_forum-bounces@pwscf.org]
<b>On Behalf Of </b>silentmlight<br>
<b>Sent:</b> 2015</span><span lang="ZH-CN" style="font-size:10.0pt;font-family:宋体">年</span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif"">11</span><span lang="ZH-CN" style="font-size:10.0pt;font-family:宋体">月</span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif"">2</span><span lang="ZH-CN" style="font-size:10.0pt;font-family:宋体">日</span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif"">
19:47<br>
<b>To:</b> Paolo Giannozzi<br>
<b>Cc:</b> PWSCF Forum<br>
<b>Subject:</b> Re: [Pw_forum] compilation aborted for realus.f90<o:p></o:p></span></p>
<p class="MsoNormal"><o:p> </o:p></p>
<div>
<p class="MsoNormal">Thank you. Dummy argument, the third error still be there.<o:p></o:p></p>
</div>
<p class="MsoNormal" style="margin-bottom:12.0pt"><br>
<br>
<o:p></o:p></p>
<div>
<p class="MsoNormal">From Meizu MX5<o:p></o:p></p>
</div>
<p class="MsoNormal" style="margin-bottom:12.0pt"><br id="mzDivider">
<br>
<br>
-------- Original message --------<br>
Sender: Paolo Giannozzi <<a href="mailto:p.giannozzi@gmail.com">p.giannozzi@gmail.com</a>><br>
Time: Mon 11/2 15:14<br>
To: PWSCF Forum <<a href="mailto:pw_forum@pwscf.org">pw_forum@pwscf.org</a>><br>
Subject: Re: [Pw_forum] compilation aborted for realus.f90<o:p></o:p></p>
<div>
<div>
<p class="MsoNormal" style="margin-bottom:12.0pt">Compiler version? (very) old versions of the Intel and gfortran compilers may not be able to compile recent versions of QE.<o:p></o:p></p>
</div>
<p class="MsoNormal">Paolo<o:p></o:p></p>
</div>
<div>
<p class="MsoNormal"><o:p> </o:p></p>
<div>
<p class="MsoNormal">On Mon, Nov 2, 2015 at 4:34 AM, ye ji <<a href="mailto:silentmlight@gmail.com" target="_blank">silentmlight@gmail.com</a>> wrote:<o:p></o:p></p>
<div>
<div>
<p class="MsoNormal" style="margin-bottom:12.0pt"><span style="font-family:楷体">Hello,</span><o:p></o:p></p>
</div>
<p class="MsoNormal"><span style="font-family:楷体">I am a newbie in DFT calculation and I am trying to compile Espresso 5.2.1 on our cluster. ./configure runs smoothly but some error occurs when make. like this...<br>
<br>
</span><span style="font-family:宋体"> </span><span style="font-family:楷体"> mpif90 -O2 -assume byterecl -g -traceback -nomodule -fpp -D__INTEL -D__FFTW -D__MPI -D__PARA -D__SCALAPACK</span><span style="font-family:宋体"> </span><span style="font-family:楷体">
-I../../iotk/src -I../../Modules -c add_vhub_to_deeq.f90<br>
mpif90 -O2 -assume byterecl -g -traceback -nomodule -fpp -D__INTEL -D__FFTW -D__MPI -D__PARA -D__SCALAPACK</span><span style="font-family:宋体"> </span><span style="font-family:楷体"> -I../../iotk/src -I../../Modules -c realus.f90<br>
fortcom: Error: realus.f90, line 63: This entity cannot be PUBLIC since its derived type is PRIVATE.</span><span style="font-family:宋体"> </span><span style="font-family:楷体"> [TABP]<br>
</span><span style="font-family:宋体"> </span><span style="font-family:楷体"> TYPE(realsp_augmentation),POINTER :: tabp(:) => null()<br>
---------------------------------------^<br>
fortcom: Error: realus.f90, line 65: This entity cannot be PUBLIC since its derived type is PRIVATE.</span><span style="font-family:宋体"> </span><span style="font-family:楷体"> [TABS]<br>
</span><span style="font-family:宋体"> </span><span style="font-family:楷体"> TYPE(realsp_augmentation),POINTER :: tabs(:) => null()<br>
---------------------------------------^<br>
fortcom: Error: realus.f90, line 204: This procedure cannot be PUBLIC since it has argument(s) whose derived type(s) are PRIVATE.</span><span style="font-family:宋体"> </span><span style="font-family:楷体"> [TABP]<br>
</span><span style="font-family:宋体"> </span><span style="font-family:楷体"> SUBROUTINE qpointlist(dfft, tabp)<br>
--------------------------------^<br>
fortcom: Error: realus.f90, line 391: A pointer dummy argument with the INTENT(IN) attribute shall not appear as an actual argument if the associated dummy argument has the INTENT(OUT) or INTENT(INOUT) attribute.</span><span style="font-family:宋体"> </span><span style="font-family:楷体">
[TABP]<br>
</span><span style="font-family:宋体"> </span><span style="font-family:楷体"> CALL real_space_q( nt, ia, mbia, tabp )<br>
------------------------------------------^<br>
compilation aborted for realus.f90 (code 1)<br>
make[2]: *** [realus.o] <span lang="ZH-CN">错误</span> 1</span><span style="font-family:宋体"> </span><span style="font-family:楷体"> (<span lang="ZH-CN">错误</span> is error in Chinese)<br>
make[2]: Leaving directory `/home/jiye/QE/PW/src' <br>
make[1]: *** [pw] <span lang="ZH-CN">错误</span> 1<br>
make[1]: Leaving directory `/home/jiye/QE/PW'<br>
make: *** [pw] <span lang="ZH-CN">错误</span> 1<br>
<br>
I' ve also tried several other versions, only 4.1.3 could</span><span style="font-family:宋体"> </span><span style="font-family:楷体"> make successfully with "--disable-shared", however, pw.x doesn't work for all examples. The math library is intel MKL and I've
tried both ifort and gfortran as compiler and -O0 optimize level. (I've searched the archive to find solutions and tried to use internal libraries yet not helpful.)<br>
<br>
Please see my make.sys file for details. I would appreciate any help.</span><br clear="all">
<br>
Best,<br>
<br>
Ye Ji <o:p></o:p></p>
</div>
<p class="MsoNormal"><br>
_______________________________________________<br>
Pw_forum mailing list<br>
<a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>
<a href="http://pwscf.org/mailman/listinfo/pw_forum" target="_blank">http://pwscf.org/mailman/listinfo/pw_forum</a><o:p></o:p></p>
</div>
<p class="MsoNormal"><br>
<br clear="all">
<br>
-- <o:p></o:p></p>
<div>
<div>
<div>
<div>
<p class="MsoNormal"><span style="color:#888888">Paolo Giannozzi, Dept. Chemistry&Physics&Environment,<br>
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>
Phone <a href="tel:%2B39-0432-558216" target="_blank">+39-0432-558216</a>, fax <a href="tel:%2B39-0432-558222" target="_blank">
+39-0432-558222</a></span><o:p></o:p></p>
</div>
</div>
</div>
</div>
</div>
</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>