<html 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 15 (filtered medium)"><style><!--
/* Font Definitions */
@font-face
{font-family:Courier;
panose-1:2 7 4 9 2 2 5 2 4 4;}
@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;}
/* Style Definitions */
p.MsoNormal, li.MsoNormal, div.MsoNormal
{margin:0in;
font-size:11.0pt;
font-family:"Calibri",sans-serif;}
a:link, span.MsoHyperlink
{mso-style-priority:99;
color:blue;
text-decoration:underline;}
pre
{mso-style-priority:99;
mso-style-link:"HTML Preformatted Char";
margin:0in;
margin-bottom:.0001pt;
font-size:10.0pt;
font-family:"Courier New";}
span.HTMLPreformattedChar
{mso-style-name:"HTML Preformatted Char";
mso-style-priority:99;
mso-style-link:"HTML Preformatted";
font-family:"Courier New";}
.MsoChpDefault
{mso-style-type:export-only;}
@page WordSection1
{size:8.5in 11.0in;
margin:1.0in 1.0in 1.0in 1.0in;}
div.WordSection1
{page:WordSection1;}
--></style></head><body lang=EN-US link=blue vlink="#954F72" style='word-wrap:break-word'><div class=WordSection1><pre style='background:white'><span style='color:black'>Dear </span><span style='font-size:10.5pt;font-family:Courier;color:black'>Fabrizio,</span><o:p></o:p></pre><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>Do you think this is because libxc.5.1.5 was not compiled with intel compiler? I can check with our HPC team. </p><p class=MsoNormal>Please give me the advice how I should compile libxc.5.1.5? </p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>Best,</p><p class=MsoNormal>Hong</p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>Sent from <a href="https://go.microsoft.com/fwlink/?LinkId=550986">Mail</a> for Windows 10</p><p class=MsoNormal><o:p> </o:p></p><div style='mso-element:para-border-div;border:none;border-top:solid #E1E1E1 1.0pt;padding:3.0pt 0in 0in 0in'><p class=MsoNormal style='border:none;padding:0in'><b>From: </b><a href="mailto:tanghong992@gmail.com">tanghong992@outlook.com</a><br><b>Sent: </b>Monday, July 19, 2021 2:04 PM<br><b>To: </b><a href="mailto:ferrariruffino.fz@gmail.com">Fabrizio Ferrari</a><br><b>Subject: </b>RE: [QE-users] Install QE 6.4.1 or QE 6.6 with Libxc.5.1.5 errors</p></div><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>I don know how libxc.5.1.5 was compiled. It was done by our Temple HPC team. But I saw is was libxc/5.1.5-intel. It should be compiled with intel compiler.<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>Best,<o:p></o:p></p><p class=MsoNormal>Hong<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>Sent from <a href="https://go.microsoft.com/fwlink/?LinkId=550986">Mail</a> for Windows 10<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><div style='border:none;border-top:solid #E1E1E1 1.0pt;padding:3.0pt 0in 0in 0in'><p class=MsoNormal><b>From: </b><a href="mailto:ferrariruffino.fz@gmail.com">Fabrizio Ferrari</a><br><b>Sent: </b>Monday, July 19, 2021 2:01 PM<br><b>To: </b><a href="mailto:tanghong992@gmail.com">tanghong992@gmail.com</a><br><b>Subject: </b>Re: [QE-users] Install QE 6.4.1 or QE 6.6 with Libxc.5.1.5 errors<o:p></o:p></p></div><p class=MsoNormal><o:p> </o:p></p><div><p class=MsoNormal>Sorry, I see now from make.inc that you used ifort+icc. Did you compile libxc the same way?<o:p></o:p></p></div><p class=MsoNormal><o:p> </o:p></p><div><div><p class=MsoNormal>On Mon, Jul 19, 2021 at 7:59 PM Fabrizio Ferrari <<a href="mailto:ferrariruffino.fz@gmail.com">ferrariruffino.fz@gmail.com</a>> wrote:<o:p></o:p></p></div><blockquote style='border:none;border-left:solid #CCCCCC 1.0pt;padding:0in 0in 0in 6.0pt;margin-left:4.8pt;margin-top:5.0pt;margin-right:0in;margin-bottom:5.0pt'><div><div><p class=MsoNormal style='margin-left:.2in'>Dear Hong,<o:p></o:p></p></div><div><p class=MsoNormal style='margin-left:.2in'>which compiler did you use to compile QE6.7? And which one for Libxc?<o:p></o:p></p></div></div><p class=MsoNormal style='margin-left:.2in'><o:p> </o:p></p><div><div><p class=MsoNormal style='margin-left:.2in'>On Mon, Jul 19, 2021 at 7:53 PM <a href="mailto:tanghong992@outlook.com" target="_blank">tanghong992@outlook.com</a> <<a href="mailto:tanghong992@gmail.com" target="_blank">tanghong992@gmail.com</a>> wrote:<o:p></o:p></p></div><blockquote style='border:none;border-left:solid #CCCCCC 1.0pt;padding:0in 0in 0in 6.0pt;margin-left:4.8pt;margin-top:5.0pt;margin-right:0in;margin-bottom:5.0pt'><div><div><div><pre style='background:white'><span style='color:black'>Dear </span><span style='font-size:10.5pt;font-family:Courier;color:black'>Fabrizio,</span></pre><pre style='background:white'><span style='font-size:10.5pt;font-family:Courier;color:black'> </span></pre><pre style='background:white'><span style='font-size:10.5pt;font-family:Courier;color:black'>Thank you so much for helping me. </span></pre><pre style='background:white'><span style='font-size:10.5pt;font-family:Courier;color:black'>Actually, before your this email, I tried to do qe.6.7.+libxc.5.1.5. I think I did what you said. I still got errors. My doing is:</span></pre><div><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:.4in'>1<span style='color:black'>. I followed your advices for other people in the email lists</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:.4in'><span style='font-size:10.5pt;font-family:Courier;color:black'> </span><span style='color:black'>1-configure without any libxc flag;</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:.4in'><span style='color:black'> 2-go to the make.inc file in the main folder and add the various flags to </span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:.4in'><span style='color:black'> DFLAGS, IFLAGS and LD_LIBS by following the comments inside; </span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:.4in'><span style='color:black'> 3-compile as usual.</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:.4in'><span style='color:black'> I found there is “LIBXC_LIBS” in the make.inc file. I also tried to add libxc lib to this one, instead of “LD_LIBS”, however, they all gave the same errors. </span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:.4in'><span style='color:black'> Please see the attached “make.inc” file. </span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:.4in'><span style='color:black'> </span><o:p></o:p></p></div><pre style='background:white'><span style='font-size:10.5pt;font-family:Courier;color:black'>2. after “make all”, I go the following errores:</span></pre><pre style='background:white'><span style='font-size:10.5pt;font-family:Courier;color:black'> pwscf.o libpw.a ../../Modules/libqemod.a .././KS_Solvers/libks_solvers.a ../../upflib/libupf.a ../../FFTXlib/libqefft.a ../../LAXlib/libqela.a ../../UtilXlib/libutil.a ../../dft-d3/libdftd3qe.a /home/hongtang/QE67_libxc/qe-6.7//clib/clib.a /home/hongtang/QE67_libxc/qe-6.7//LIBBEEF/libbeef.a -L/gpfs/opt/libs/libxc-5.1.5-intel/lib -lxcf03 -lxc -lscalapack -L/home/hongtang/QE67_libxc/qe-6.7//FoX/lib -lFoX_dom -lFoX_sax -lFoX_wxml -lFoX_common -lFoX_utils -lFoX_fsys -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core </span></pre><pre style='background:white'><span style='font-size:10.5pt;font-family:Courier;color:black'>/gpfs/opt/libs/libxc-5.1.5-intel/lib/libxcf03.a(libxcf03.o): In function `xc_f03_lib_m_mp_xc_f03_functional_get_name_':</span></pre><pre style='background:white'><span style='font-size:10.5pt;font-family:Courier;color:black'>libxcf03.f90:(.text+0xd3b): undefined reference to `libxc_free'</span></pre><pre style='background:white'><span style='font-size:10.5pt;font-family:Courier;color:black'>/gpfs/opt/libs/libxc-5.1.5-intel/lib/libxc.a(func_info.o):(.eh_frame+0x11): undefined reference to `__gxx_personality_v0'</span></pre><pre style='background:white'><span style='font-size:10.5pt;font-family:Courier;color:black'>/gpfs/opt/libs/libxc-5.1.5-intel/lib/libxc.a(functionals.o):(.eh_frame+0x11): undefined reference to `__gxx_personality_v0'</span></pre><pre style='background:white'><span style='font-size:10.5pt;font-family:Courier;color:black'>/gpfs/opt/libs/libxc-5.1.5-intel/lib/libxc.a(hybrids.o):(.eh_frame+0x11): undefined reference to `__gxx_personality_v0'</span></pre><pre style='background:white'><span style='font-size:10.5pt;font-family:Courier;color:black'>/gpfs/opt/libs/libxc-5.1.5-intel/lib/libxc.a(version.o):(.eh_frame+0x11): undefined reference to `__gxx_personality_v0'</span></pre><pre style='background:white'><span style='font-size:10.5pt;font-family:Courier;color:black'>/gpfs/opt/libs/libxc-5.1.5-intel/lib/libxc.a(func_reference.o):(.eh_frame+0x11): undefined reference to `__gxx_personality_v0'</span></pre><pre style='background:white'><span style='font-size:10.5pt;font-family:Courier;color:black'>/gpfs/opt/libs/libxc-5.1.5-intel/lib/libxc.a(lda.o):(.eh_frame+0x11): more undefined references to `__gxx_personality_v0' follow</span></pre><pre style='background:white'><span style='font-size:10.5pt;font-family:Courier;color:black'>make[2]: *** [pw.x] Error 1</span></pre><pre style='background:white'><span style='font-size:10.5pt;font-family:Courier;color:black'>make[2]: Leaving directory `/home/hongtang/QE67_libxc/qe-6.7/PW/src'</span></pre><pre style='background:white'><span style='font-size:10.5pt;font-family:Courier;color:black'>make[1]: *** [pw] Error 1</span></pre><pre style='background:white'><span style='font-size:10.5pt;font-family:Courier;color:black'>make[1]: Leaving directory `/home/hongtang/QE67_libxc/qe-6.7/PW'</span></pre><pre style='background:white'><span style='font-size:10.5pt;font-family:Courier;color:black'>make: *** [pw] Error 1</span></pre><pre style='background:white'><span style='font-size:10.5pt;font-family:Courier;color:black'> </span></pre><pre style='background:white'><span style='font-size:10.5pt;font-family:Courier;color:black'> </span></pre><pre style='background:white'><span style='font-size:10.5pt;font-family:Courier;color:black'> </span></pre><pre style='background:white'><span style='font-size:10.5pt;font-family:Courier;color:black'>Please help.</span></pre><pre style='background:white'><span style='font-size:10.5pt;font-family:Courier;color:black'> </span></pre><pre style='background:white'><span style='font-size:10.5pt;font-family:Courier;color:black'>Best,</span></pre><pre style='background:white'><span style='font-size:10.5pt;font-family:Courier;color:black'>Hong</span></pre><pre style='background:white'><span style='font-size:10.5pt;font-family:Courier;color:black'> </span></pre></div><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:.4in'> <o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:.4in'> <o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:.4in'> <o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:.4in'> <o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:.4in'>Sent from <a href="https://go.microsoft.com/fwlink/?LinkId=550986" target="_blank">Mail</a> for Windows 10<o:p></o:p></p></div></div></blockquote></div></blockquote></div><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:9.6pt'> <o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal><o:p> </o:p></p></div></body></html>