<html><head><meta http-equiv="Content-Type" content="text/html charset=GB2312"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><br><div><div>On Dec 9, 2013, at 9:58 AM, Yue-Wen Fang <<a href="mailto:yuewen.fang@gmail.com">yuewen.fang@gmail.com</a>> wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><div dir="ltr">Dear QE users,<div><br></div><div>In recent days, I'have compiled QE 5.0.2 for many times using different ways in several computing centers. Surprisingly, all gave me errors. The main problem is the MKL.</div>
<div><br></div><div>The following is my steps.</div><div><br></div><div><font size="4">1. <b>I write a shell script named "fyw-configure" to proceed configure</b></font></div><div><b><br></b></div><div>export CC=icc</div>
<div>export F77=ifort</div><div>export F90=ifort</div><div>export MPIF90=mpif90</div><div>export CFLAGS=-O2</div><div>export FFLAGS=-O2</div><div>export MKL_LIB="/vol-th/lib/mklem64t"</div><div>./configure BLACS_LIBS="-L$MKL_LIB -libmkl_blacs_lp64.a" LAPACK_LIBS="-L$MKL_LIB -libmkl_lapack95_ilp64.a" SCALAPACK_LIBS="-L$MKL_LIB -libmkl_scalapack_lp64.a" BLAS_LIBS="-L$MKL_LIB -libmkl_blas95_lp64.a -libmkl_core.a -libmkl_sequential.a" <br>
</div><div><br></div><div><font size="4">2. <b>conduct fyw-configure</b></font></div><div><b><br></b></div><div>./fyw-configure --enable-parallel</div><div><br></div><div>The screen told me the following information.</div>
<div><br></div><div><div><b>The following libraries have been found:</b></div><div><b> BLAS_LIBS=-L/vol-th/lib/mklem64t -libmkl_blas95_lp64.a -libmkl_core.a -libmkl_sequential.a</b></div><div><b> LAPACK_LIBS=-L/vol-th/lib/mklem64t -libmkl_lapack95_ilp64.a</b></div>
<div><b> SCALAPACK_LIBS=-L/vol-th/lib/mklem64t -libmkl_scalapack_lp64.a</b></div><div><b> FFT_LIBS=</b></div><div><b>Please check if this is what you expect.</b></div></div><div><br></div><div><b>I'am sure</b> that these MKL files <b>indeed exist </b>in the directory of <b>/vol-th/lib/mklem64t </b>and <b>they can be called by other computing softwares without errors.</b></div>
<div><br></div><div><b><font size="4">3. make all</font></b></div><div><br></div><div><b>make all error:</b></div><div><div> pwscf.o libpw.a ../../Modules/libqemod.a ../../flib/ptools.a ../../flib/flib.a ../../clib/clib.a ../../iotk/src/libiotk.a -L/vol-th/lib/mklem64t -libmkl_scalapack_lp64.a -L/vol-th/lib/mklem64t -libmkl_lapack95_ilp64.a -L/vol-th/lib/mklem64t -libmkl_blas95_lp64.a -libmkl_core.a -libmkl_sequential.a </div>
<div>ld: <b>cannot find -libmkl_scalapack_lp64.a</b></div><div>make[2]: *** [pw.x] Error 1</div><div>make[2]: Leaving directory `/vol-th/home/fyw/pwscf/espresso-5.0.2/PW/src'</div><div>make[1]: *** [pw] Error 2</div><div>
make[1]: Leaving directory `/vol-th/home/fyw/pwscf/espresso-5.0.2/PW'</div><div>make: *** [pw] Error 2</div><div><br></div><div><b>It seems to be a pseudo link though this file indeed exist there. </b></div><div><br></div>
<div>Maybe I hadn't compiled PWSCF for much time, some problems may be ignored by me during configure steps. I hope experienced experts here can help me to curb this problem.</div><div><br></div><div>Thank you in advance!</div>
<div><br></div><div>RegardsŁĄ</div>-- <br><div dir="ltr">------------------------------------------------------------------------------------------------------------<div>Yue-Wen FANG, PhD candidate<br><div><a href="http://clpm.ecnu.edu.cn/" style="font-family:arial,sans-serif;font-size:14px;background-color:rgb(255,255,255)" target="_blank">Key Laboratory of Polar Materials and Devices, Ministry of Education</a><br style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:14px;background-color:rgb(255,255,255)">
<div style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:14px;background-color:rgb(255,255,255)"><a href="http://english.ecnu.edu.cn/" target="_blank">East China Normal University </a></div><div style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:14px;background-color:rgb(255,255,255)">
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<div style="color: rgb(0, 0, 0); font-family: Helvetica; font-size: medium; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; border-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; font-size: medium; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; border-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; font-size: medium; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-size: medium; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; border-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-size: medium; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; border-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-size: medium; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; border-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; "><div><br class="Apple-interchange-newline"><br></div><div>I think you are linking the libraries in the wrong way, this is why you find the files but the compilation fails.</div><div><br></div><div>Provided that you've chosen the correct libraries to link, try to replace:</div><div><blockquote type="cite"><div dir="ltr">BLACS_LIBS="-L$MKL_LIB -libmkl_blacs_lp64.a" LAPACK_LIBS="-L$MKL_LIB -libmkl_lapack95_ilp64.a" SCALAPACK_LIBS="-L$MKL_LIB -libmkl_scalapack_lp64.a" BLAS_LIBS="-L$MKL_LIB -libmkl_blas95_lp64.a -libmkl_core.a -libmkl_sequential.a</div></blockquote></div><div><br></div><div>with:</div><div><br></div><div><blockquote type="cite"><div dir="ltr">BLACS_LIBS="-L$MKL_LIB -lmkl_blacs_lp64" LAPACK_LIBS="-L$MKL_LIB -lmkl_lapack95_ilp64" SCALAPACK_LIBS="-L$MKL_LIB -mkl_scalapack_lp64" BLAS_LIBS="-L$MKL_LIB -lmkl_blas95_lp64 -lmkl_core -lmkl_sequential</div></blockquote><br></div><div>Intel provides an useful link advisor, that might help you in choosing the correct libraries to link:</div><div><br></div><div><a href="http://software.intel.com/en-us/articles/intel-mkl-link-line-advisor">http://software.intel.com/en-us/articles/intel-mkl-link-line-advisor</a></div><div><br></div><div><br></div><div>Giovanni</div><div><br></div><div><br></div><div>--</div><div><br></div><div><div>Giovanni Cantele, PhD</div><div>CNR-SPIN</div><div>c/o Dipartimento di Scienze Fisiche</div><div>Universita' di Napoli "Federico II"</div><div>Complesso Universitario M. S. Angelo - Ed. 6</div><div>Via Cintia, I-80126, Napoli, Italy</div>e-mail: <a href="mailto:giovanni.cantele@spin.cnr.it">giovanni.cantele@spin.cnr.it</a><div>Phone: +39 081 676910</div><div>Skype contact: giocan74</div><div><br></div><div>ResearcherID: <a href="http://www.researcherid.com/rid/A-1951-2009">http://www.researcherid.com/rid/A-1951-2009</a></div><div>Web page: <a href="http://people.na.infn.it/~cantele">http://people.na.infn.it/~cantele</a></div><div> <a href="http://www.nanomat.unina.it">http://www.nanomat.unina.it</a></div></div></span></div></span></div></span></div></span></div></span></div>
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