<html><head><meta http-equiv="Content-Type" content="text/html charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">Thank you @Ye, @Pietro, @Tobias, @Paolo<div class=""><br class=""></div><div class="">QE successfully installed. Yay!!!</div><div class=""><br class=""></div><div class="">@Tobias,</div><div class="">I have installed AMD libraries from source (amd-fftw, bliss and libFLAME).</div><div class="">Will using precompiled fftw + blis, from AMD, called AOCL in QE perform better when compared to libraries installed from scratch?</div><div class=""><br class=""></div><div class="">Thank you!</div><div class=""><br class=""></div><div class=""><br class=""></div><div class="">Chandan<br class=""><div class="">
<div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><div style="color: rgb(0, 0, 0); font-family: 'Noto Sans'; font-size: 15px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px;">--<br class="">Chandan Kumar Choudhury, PhD<br class="">Senior Scientist (Computational Science)<br class="">Prescience.in</div></div>
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<br class=""><div><blockquote type="cite" class=""><div class="">On Mar 11, 2021, at 11:42 PM, Ye Luo <<a href="mailto:xw111luoye@gmail.com" class="">xw111luoye@gmail.com</a>> wrote:</div><br class="Apple-interchange-newline"><div class=""><div dir="ltr" class=""><div class="">since you turned on OpenMP. Add <span style="font-variant-ligatures:no-common-ligatures" class="">libfftw3_omp.a</span></div><div class=""><span style="font-variant-ligatures:no-common-ligatures" class="">Ye<br class=""></span></div><div class=""><div class=""><div dir="ltr" class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr" class=""><div class=""><div dir="ltr" class="">===================<br class="">
Ye Luo, Ph.D.<br class="">Computational Science Division & Leadership Computing Facility<br class="">
Argonne National Laboratory</div></div></div></div></div><br class=""></div></div><br class=""><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Thu, Mar 11, 2021 at 11:58 AM Chandan Kumar Choudhury <<a href="mailto:ckchoud@g.clemson.edu" class="">ckchoud@g.clemson.edu</a>> wrote:<br class=""></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div style="overflow-wrap: break-word;" class="">Hi Pietro,<div class=""><br class=""></div><div class="">This did help. I guess I am getting closer!!</div><div class=""> I could proceed further, but still got some error.</div><div class="">Can you please suggest a workaround?</div><div class="">I have compiled FFTW, openmpi, and QE with CC=clang, CPP=clang-cpp CXX=clang++ and F90=flang.</div><div class=""><br class=""></div><div class=""><br class=""></div><div class=""><br class=""></div><div class=""><div style="margin:0px;font-size:16px;line-height:normal;font-family:"Noto Mono";background-color:rgb(255,255,255)" class=""><span style="font-variant-ligatures:no-common-ligatures" class=""> 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/chandan_prescience_in/softwares/q-e-qe-6.7.0//clib/clib.a /home/chandan_prescience_in/softwares/q-e-qe-6.7.0//LIBBEEF/libbeef.a /home/chandan_prescience_in/apps/scalapack/libscalapack.a /home/chandan_prescience_in/apps/libFLAME/lib/libflame.a -L/home/chandan_prescience_in/softwares/q-e-qe-6.7.0//FoX/lib -lFoX_dom -lFoX_sax -lFoX_wxml -lFoX_common -lFoX_utils -lFoX_fsys /home/chandan_prescience_in/apps/amd-fftw/double/lib/libfftw3.a /home/chandan_prescience_in/apps/blis/lib/libblis.a -L/home/chandan_prescience_in/apps/openmpi/410/lib </span></div><div style="margin:0px;font-size:16px;line-height:normal;font-family:"Noto Mono";background-color:rgb(255,255,255)" class=""><span style="font-variant-ligatures:no-common-ligatures" class="">ld.lld: </span><span style="font-variant-ligatures:no-common-ligatures;color:rgb(195,55,32)" class="">error: </span><span style="font-variant-ligatures:no-common-ligatures" class="">undefined symbol: dfftw_cleanup_threads_</span></div><div style="margin:0px;font-size:16px;line-height:normal;font-family:"Noto Mono";background-color:rgb(255,255,255)" class=""><span style="font-variant-ligatures:no-common-ligatures" class="">>>> referenced by fft_scalar.FFTW3.f90:148</span></div><div style="margin:0px;font-size:16px;line-height:normal;font-family:"Noto Mono";background-color:rgb(255,255,255)" class=""><span style="font-variant-ligatures:no-common-ligatures" class="">>>> fft_scalar.FFTW3.o:(fft_scalar_fftw3_cft_1z_) in archive ../../FFTXlib/libqefft.a</span></div><div style="margin:0px;font-size:16px;line-height:normal;font-family:"Noto Mono";background-color:rgb(255,255,255)" class=""><span style="font-variant-ligatures:no-common-ligatures" class="">>>> referenced by fft_scalar.FFTW3.f90:301</span></div><div style="margin:0px;font-size:16px;line-height:normal;font-family:"Noto Mono";background-color:rgb(255,255,255)" class=""><span style="font-variant-ligatures:no-common-ligatures" class="">>>> fft_scalar.FFTW3.o:(fft_scalar_fftw3_cft_2xy_) in archive ../../FFTXlib/libqefft.a</span></div><div style="margin:0px;font-size:16px;line-height:normal;font-family:"Noto Mono";background-color:rgb(255,255,255)" class=""><span style="font-variant-ligatures:no-common-ligatures" class="">>>> referenced by fft_scalar.FFTW3.f90:447</span></div><div style="margin:0px;font-size:16px;line-height:normal;font-family:"Noto Mono";background-color:rgb(255,255,255)" class=""><span style="font-variant-ligatures:no-common-ligatures" class="">>>> fft_scalar.FFTW3.o:(fft_scalar_fftw3_cfft3d_) in archive ../../FFTXlib/libqefft.a</span></div><div style="margin:0px;font-size:16px;line-height:normal;font-family:"Noto Mono";background-color:rgb(255,255,255)" class=""><span style="font-variant-ligatures:no-common-ligatures" class="">>>> referenced 1 more times</span></div><div style="margin:0px;font-size:16px;line-height:normal;font-family:"Noto Mono";background-color:rgb(255,255,255);min-height:23px" class=""><span style="font-variant-ligatures:no-common-ligatures" class=""></span><br class=""></div><div style="margin:0px;font-size:16px;line-height:normal;font-family:"Noto Mono";background-color:rgb(255,255,255)" class=""><span style="font-variant-ligatures:no-common-ligatures" class="">ld.lld: </span><span style="font-variant-ligatures:no-common-ligatures;color:rgb(195,55,32)" class="">error: </span><span style="font-variant-ligatures:no-common-ligatures" class="">undefined symbol: fftw_init_threads</span></div><div style="margin:0px;font-size:16px;line-height:normal;font-family:"Noto Mono";background-color:rgb(255,255,255)" class=""><span style="font-variant-ligatures:no-common-ligatures" class="">>>> referenced by fft_scalar.FFTW3.f90:149</span></div><div style="margin:0px;font-size:16px;line-height:normal;font-family:"Noto Mono";background-color:rgb(255,255,255)" class=""><span style="font-variant-ligatures:no-common-ligatures" class="">>>> fft_scalar.FFTW3.o:(fft_scalar_fftw3_cft_1z_) in archive ../../FFTXlib/libqefft.a</span></div><div style="margin:0px;font-size:16px;line-height:normal;font-family:"Noto Mono";background-color:rgb(255,255,255)" class=""><span style="font-variant-ligatures:no-common-ligatures" class="">>>> referenced by fft_scalar.FFTW3.f90:302</span></div><div style="margin:0px;font-size:16px;line-height:normal;font-family:"Noto Mono";background-color:rgb(255,255,255)" class=""><span style="font-variant-ligatures:no-common-ligatures" class="">>>> fft_scalar.FFTW3.o:(fft_scalar_fftw3_cft_2xy_) in archive ../../FFTXlib/libqefft.a</span></div><div style="margin:0px;font-size:16px;line-height:normal;font-family:"Noto Mono";background-color:rgb(255,255,255)" class=""><span style="font-variant-ligatures:no-common-ligatures" class="">>>> referenced by fft_scalar.FFTW3.f90:448</span></div><div style="margin:0px;font-size:16px;line-height:normal;font-family:"Noto Mono";background-color:rgb(255,255,255)" class=""><span style="font-variant-ligatures:no-common-ligatures" class="">>>> fft_scalar.FFTW3.o:(fft_scalar_fftw3_cfft3d_) in archive ../../FFTXlib/libqefft.a</span></div><div style="margin:0px;font-size:16px;line-height:normal;font-family:"Noto Mono";background-color:rgb(255,255,255)" class=""><span style="font-variant-ligatures:no-common-ligatures" class="">>>> referenced 1 more times</span></div><div style="margin:0px;font-size:16px;line-height:normal;font-family:"Noto Mono";background-color:rgb(255,255,255);min-height:23px" class=""><span style="font-variant-ligatures:no-common-ligatures" class=""></span><br class=""></div><div style="margin:0px;font-size:16px;line-height:normal;font-family:"Noto Mono";background-color:rgb(255,255,255)" class=""><span style="font-variant-ligatures:no-common-ligatures" class="">ld.lld: </span><span style="font-variant-ligatures:no-common-ligatures;color:rgb(195,55,32)" class="">error: </span><span style="font-variant-ligatures:no-common-ligatures" class="">undefined symbol: dfftw_plan_with_nthreads_</span></div><div style="margin:0px;font-size:16px;line-height:normal;font-family:"Noto Mono";background-color:rgb(255,255,255)" class=""><span style="font-variant-ligatures:no-common-ligatures" class="">>>> referenced by fft_scalar.FFTW3.f90:150</span></div><div style="margin:0px;font-size:16px;line-height:normal;font-family:"Noto Mono";background-color:rgb(255,255,255)" class=""><span style="font-variant-ligatures:no-common-ligatures" class="">>>> fft_scalar.FFTW3.o:(fft_scalar_fftw3_cft_1z_) in archive ../../FFTXlib/libqefft.a</span></div><div style="margin:0px;font-size:16px;line-height:normal;font-family:"Noto Mono";background-color:rgb(255,255,255)" class=""><span style="font-variant-ligatures:no-common-ligatures" class="">>>> referenced by fft_scalar.FFTW3.f90:303</span></div><div style="margin:0px;font-size:16px;line-height:normal;font-family:"Noto Mono";background-color:rgb(255,255,255)" class=""><span style="font-variant-ligatures:no-common-ligatures" class="">>>> fft_scalar.FFTW3.o:(fft_scalar_fftw3_cft_2xy_) in archive ../../FFTXlib/libqefft.a</span></div><div style="margin:0px;font-size:16px;line-height:normal;font-family:"Noto Mono";background-color:rgb(255,255,255)" class=""><span style="font-variant-ligatures:no-common-ligatures" class="">>>> referenced by fft_scalar.FFTW3.f90:449</span></div><div style="margin:0px;font-size:16px;line-height:normal;font-family:"Noto Mono";background-color:rgb(255,255,255)" class=""><span style="font-variant-ligatures:no-common-ligatures" class="">>>> fft_scalar.FFTW3.o:(fft_scalar_fftw3_cfft3d_) in archive ../../FFTXlib/libqefft.a</span></div><div style="margin:0px;font-size:16px;line-height:normal;font-family:"Noto Mono";background-color:rgb(255,255,255)" class=""><span style="font-variant-ligatures:no-common-ligatures" class="">>>> referenced 1 more times</span></div><div style="margin:0px;font-size:16px;line-height:normal;font-family:"Noto Mono";background-color:rgb(255,255,255)" class=""><span style="font-variant-ligatures:no-common-ligatures" class="">clang-11: </span><span style="font-variant-ligatures:no-common-ligatures;color:rgb(195,55,32)" class="">error: </span><span style="font-variant-ligatures:no-common-ligatures" class="">linker command failed with exit code 1 (use -v to see invocation)</span></div><div style="margin:0px;font-size:16px;line-height:normal;font-family:"Noto Mono";background-color:rgb(255,255,255)" class=""><span style="font-variant-ligatures:no-common-ligatures" class="">make[2]: *** [Makefile:262: pw.x] Error 1</span></div><div style="margin:0px;font-size:16px;line-height:normal;font-family:"Noto Mono";background-color:rgb(255,255,255)" class=""><span style="font-variant-ligatures:no-common-ligatures" class="">make[2]: Leaving directory '/home/chandan_prescience_in/softwares/q-e-qe-6.7.0/PW/src'</span></div><div style="margin:0px;font-size:16px;line-height:normal;font-family:"Noto Mono";background-color:rgb(255,255,255)" class=""><span style="font-variant-ligatures:no-common-ligatures" class="">make[1]: *** [Makefile:9: pw] Error 1</span></div><div style="margin:0px;font-size:16px;line-height:normal;font-family:"Noto Mono";background-color:rgb(255,255,255)" class=""><span style="font-variant-ligatures:no-common-ligatures" class="">make[1]: Leaving directory '/home/chandan_prescience_in/softwares/q-e-qe-6.7.0/PW'</span></div><div style="margin:0px;font-size:16px;line-height:normal;font-family:"Noto Mono";background-color:rgb(255,255,255)" class=""><span style="font-variant-ligatures:no-common-ligatures" class="">make: *** [Makefile:66: pw] Error 1</span></div><div style="margin:0px;font-size:16px;line-height:normal;font-family:"Noto Mono";background-color:rgb(255,255,255)" class=""><span style="font-variant-ligatures:no-common-ligatures" class=""><br class=""></span></div><div style="margin:0px;font-size:16px;line-height:normal;font-family:"Noto Mono";background-color:rgb(255,255,255)" class=""><span style="font-variant-ligatures:no-common-ligatures" class=""><br class=""></span></div><div style="margin:0px;font-size:16px;line-height:normal;font-family:"Noto Mono";background-color:rgb(255,255,255)" class=""><span style="font-variant-ligatures:no-common-ligatures" class="">Thank you!</span></div><div style="margin:0px;font-size:16px;line-height:normal;font-family:"Noto Mono";background-color:rgb(255,255,255)" class=""><span style="font-variant-ligatures:no-common-ligatures" class=""><br class=""></span></div><div style="margin:0px;font-size:16px;line-height:normal;font-family:"Noto Mono";background-color:rgb(255,255,255)" class=""><span style="font-variant-ligatures:no-common-ligatures" class="">Chandan</span></div><div class="">
<div style="overflow-wrap: break-word;" class=""><div style="font-family: 'Noto Sans'; font-size: 15px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px;" class="">--<br class="">Chandan Kumar Choudhury, PhD<br class="">Senior Scientist (Computational Science)<br class="">Prescience.in</div></div>
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<br class=""><div class=""><blockquote type="cite" class=""><div class="">On Mar 11, 2021, at 8:52 PM, Pietro Delugas <<a href="mailto:pdelugas@sissa.it" target="_blank" class="">pdelugas@sissa.it</a>> wrote:</div><br class=""><div class=""><div style="font-family:NotoSans-Regular;font-size:15px;font-style:normal;font-variant-caps:normal;font-weight:normal;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px" class=""><div style="margin:0in;font-size:11pt;font-family:Calibri,sans-serif" class=""><span style="font-family:Calibri,sans-serif;color:windowtext;font-weight:normal;font-style:normal" class=""><span style="font-size:12pt" class="">Dear Chandan<span class=""> </span><u class=""></u><u class=""></u></span></span></div><div style="margin:0in;font-size:11pt;font-family:Calibri,sans-serif" class=""><span style="font-family:Calibri,sans-serif;color:windowtext;font-weight:normal;font-style:normal" class=""><span style="font-size:12pt" class=""><u class=""></u> <u class=""></u></span></span></div><div style="margin:0in;font-size:11pt;font-family:Calibri,sans-serif" class=""><span style="font-family:Calibri,sans-serif;color:windowtext;font-weight:normal;font-style:normal" class=""><span style="font-size:12pt" class="">Fox is probably compiling using a different compiler.<span class=""> </span><u class=""></u><u class=""></u></span></span></div><div style="margin:0in;font-size:11pt;font-family:Calibri,sans-serif" class=""><span style="font-family:Calibri,sans-serif;color:windowtext;font-weight:normal;font-style:normal" class=""><span style="font-size:12pt" class=""><u class=""></u> <u class=""></u></span></span></div><div style="margin:0in;font-size:11pt;font-family:Calibri,sans-serif" class=""><span style="font-family:Calibri,sans-serif;color:windowtext;font-weight:normal;font-style:normal" class=""><span style="font-size:12pt" class="">Check the make.inc file and see if F90 is set to the same compiler used by mpif90<span class=""> </span><u class=""></u><u class=""></u></span></span></div><div style="margin:0in;font-size:11pt;font-family:Calibri,sans-serif" class=""><span style="font-family:Calibri,sans-serif;color:windowtext;font-weight:normal;font-style:normal" class=""><span style="font-size:12pt" class="">The command<span class=""> </span><u class=""></u><u class=""></u></span></span></div><div style="margin:0in;font-size:11pt;font-family:Calibri,sans-serif" class=""><span style="font-family:Calibri,sans-serif;color:windowtext;font-weight:normal;font-style:normal" class=""><span style="font-size:12pt" class="">mpif90 --show<span class=""> </span><u class=""></u><u class=""></u></span></span></div><div style="margin:0in;font-size:11pt;font-family:Calibri,sans-serif" class=""><span style="font-family:Calibri,sans-serif;color:windowtext;font-weight:normal;font-style:normal" class=""><span style="font-size:12pt" class="">will tell you which compiler is used by mpif90<span class=""> </span><u class=""></u><u class=""></u></span></span></div><div style="margin:0in;font-size:11pt;font-family:Calibri,sans-serif" class=""><span style="font-family:Calibri,sans-serif;color:windowtext;font-weight:normal;font-style:normal" class=""><span style="font-size:12pt" class="">set F90 to the same compiler do make clean and then make pw again. <u class=""></u><u class=""></u></span></span></div><div style="margin:0in;font-size:11pt;font-family:Calibri,sans-serif" class=""><span style="font-family:Calibri,sans-serif;color:windowtext;font-weight:normal;font-style:normal" class=""><span style="font-size:12pt" class=""><u class=""></u> <u class=""></u></span></span></div><div style="margin:0in;font-size:11pt;font-family:Calibri,sans-serif" class=""><span style="font-family:Calibri,sans-serif;color:windowtext;font-weight:normal;font-style:normal" class=""><span style="font-size:12pt" class="">Removing mod files in never effective because tha make command does not check them It check .o files only.<span class=""> </span><u class=""></u><u class=""></u></span></span></div><div style="margin:0in;font-size:11pt;font-family:Calibri,sans-serif" class=""><span style="font-family:Calibri,sans-serif;color:windowtext;font-weight:normal;font-style:normal" class=""><span style="font-size:12pt" class="">Do make clean.<span class=""> </span><u class=""></u><u class=""></u></span></span></div><div style="margin:0in;font-size:11pt;font-family:Calibri,sans-serif" class=""><span style="font-family:Calibri,sans-serif;color:windowtext;font-weight:normal;font-style:normal" class=""><span style="font-size:12pt" class=""><u class=""></u> <u class=""></u></span></span></div><div style="margin:0in;font-size:11pt;font-family:Calibri,sans-serif" class=""><span style="font-family:Calibri,sans-serif;color:windowtext;font-weight:normal;font-style:normal" class=""><span style="font-size:12pt" class="">Pietro <u class=""></u><u class=""></u></span></span></div><div style="margin:0in;font-size:11pt;font-family:Calibri,sans-serif" class=""><span style="font-family:Calibri,sans-serif;color:windowtext;font-weight:normal;font-style:normal" class=""><span style="font-size:12pt" class=""><u class=""></u> <u class=""></u></span></span></div><div style="margin:0in;font-size:11pt;font-family:Calibri,sans-serif" class="">Sent from<span class=""> </span><a href="https://go.microsoft.com/fwlink/?LinkId=550986" style="color:blue;text-decoration:underline" target="_blank" class="">Mail</a><span class=""> </span>for Windows 10</div><div style="margin:0in;font-size:11pt;font-family:Calibri,sans-serif" class=""><span style="font-family:Calibri,sans-serif;color:windowtext;font-weight:normal;font-style:normal" class=""><span style="font-size:12pt" class=""><u class=""></u> <u class=""></u></span></span></div><div style="border-style:solid none none;border-top-width:1pt;border-top-color:rgb(225,225,225);padding:3pt 0in 0in" class=""><div style="margin:0in;font-size:11pt;font-family:Calibri,sans-serif;border:medium none;padding:0in" class=""><b class="">From:<span class=""> </span></b><a href="mailto:ckchoud@g.clemson.edu" style="color:blue;text-decoration:underline" target="_blank" class="">Chandan Kumar Choudhury</a><br class=""><b class="">Sent:<span class=""> </span></b>Thursday, March 11, 2021 3:45 PM<br class=""><b class="">To:<span class=""> </span></b><a href="mailto:users@lists.quantum-espresso.org" style="color:blue;text-decoration:underline" target="_blank" class="">Quantum ESPRESSO users Forum</a><br class=""><b class="">Subject:<span class=""> </span></b>Re: [QE-users] Installing QE 670 on AMD EPYC</div></div><div style="margin:0in;font-size:11pt;font-family:Calibri,sans-serif" class=""><span style="font-family:Calibri,sans-serif;color:windowtext;font-weight:normal;font-style:normal" class=""><span style="font-size:12pt" class=""><u class=""></u> <u class=""></u></span></span></div><div class=""><div style="margin:0in;font-size:11pt;font-family:Calibri,sans-serif;background-color:white" class=""><span style="font-size:12pt;font-family:"Noto Mono",serif" class="">Thank you Paolo!</span><span style="font-family:"Noto Mono",serif" class=""><u class=""></u><u class=""></u></span></div></div><div class=""><div style="margin:0in;font-size:11pt;font-family:Calibri,sans-serif;background-color:white" class=""><span style="font-size:12pt;font-family:"Noto Mono",serif" class=""><br class=""><br class=""></span><span style="font-size:12pt;font-family:"Noto Mono",serif" class=""><u class=""></u><u class=""></u></span></div></div><div class=""><div style="margin:0in;font-size:11pt;font-family:Calibri,sans-serif;background-color:white" class=""><span style="font-size:12pt;font-family:"Noto Mono",serif" class="">I did the following steps:</span><span style="font-size:12pt;font-family:"Noto Mono",serif" class=""><u class=""></u><u class=""></u></span></div></div><div class=""><div style="margin:0in;font-size:11pt;font-family:Calibri,sans-serif;background-color:white" class=""><span style="font-size:12pt;font-family:"Noto Mono",serif" class="">make pw</span><span style="font-size:12pt;font-family:"Noto Mono",serif" class=""><u class=""></u><u class=""></u></span></div></div><div class=""><div style="margin:0in;font-size:11pt;font-family:Calibri,sans-serif;background-color:white" class=""><span style="font-size:12pt;font-family:"Noto Mono",serif" class="">rm FoX/finclude/m_common_io.mod </span><span style="font-size:12pt;font-family:"Noto Mono",serif" class=""><u class=""></u><u class=""></u></span></div></div><div class=""><div style="margin:0in;font-size:11pt;font-family:Calibri,sans-serif;background-color:white" class=""><span style="font-size:12pt;font-family:"Noto Mono",serif" class="">make clean</span><span style="font-size:12pt;font-family:"Noto Mono",serif" class=""><u class=""></u><u class=""></u></span></div></div><div class=""><div style="margin:0in;font-size:11pt;font-family:Calibri,sans-serif;background-color:white" class=""><span style="font-size:12pt;font-family:"Noto Mono",serif" class="">make pw</span><span style="font-size:12pt;font-family:"Noto Mono",serif" class=""><u class=""></u><u class=""></u></span></div></div><div class=""><div style="margin:0in;font-size:11pt;font-family:Calibri,sans-serif;background-color:white" class=""><span style="font-size:12pt;font-family:"Noto Mono",serif" class=""><br class=""><br class=""></span><span style="font-size:12pt;font-family:"Noto Mono",serif" class=""><u class=""></u><u class=""></u></span></div></div><div class=""><div style="margin:0in;font-size:11pt;font-family:Calibri,sans-serif;background-color:white" class=""><span style="font-size:12pt;font-family:"Noto Mono",serif" class="">make clean removes the FoX directory and it recreates when we do 'make pw’</span><span style="font-size:12pt;font-family:"Noto Mono",serif" class=""><u class=""></u><u class=""></u></span></div></div><div class=""><div style="margin:0in;font-size:11pt;font-family:Calibri,sans-serif;background-color:white" class=""><span style="font-size:12pt;font-family:"Noto Mono",serif" class="">So, I still the same error</span><span style="font-size:12pt;font-family:"Noto Mono",serif" class=""><u class=""></u><u class=""></u></span></div></div><div class=""><div style="margin:0in;font-size:11pt;font-family:Calibri,sans-serif;background-color:white" class=""><span style="font-size:12pt;font-family:"Noto Mono",serif" class=""><u class=""></u> <u class=""></u></span></div></div><div class=""><div class=""><div style="margin:0in;font-size:11pt;font-family:Calibri,sans-serif;background-color:white" class=""><span style="font-size:12pt;font-family:"Noto Mono",serif" class="">mpif90 -O3 -g -fopenmp -cpp -fopenmp -D__FFTW3 -D__MPI -D__SCALAPACK -I/home/chandan_prescience_in/apps/blis/include -I/home/chandan_prescience_in/apps/libFLAME/include -I/home/chandan_prescience_in/apps/amd-fftw/double/include -I/home/chandan_prescience_in/softwares/q-e-qe-6.7.0/FoX/finclude -I/home/chandan_prescience_in/softwares/q-e-qe-6.7.0/include -I/home/chandan_prescience_in/softwares/q-e-qe-6.7.0//upflib -I/home/chandan_prescience_in/softwares/q-e-qe-6.7.0//Modules -I/home/chandan_prescience_in/softwares/q-e-qe-6.7.0//FFTXlib -I/home/chandan_prescience_in/softwares/q-e-qe-6.7.0//LAXlib -I/home/chandan_prescience_in/softwares/q-e-qe-6.7.0//UtilXlib -I/home/chandan_prescience_in/softwares/q-e-qe-6.7.0//FoX/finclude -I../ELPA/src -c fox_init_module.f90</span><span style="font-size:12pt;font-family:"Noto Mono",serif" class=""><u class=""></u><u class=""></u></span></div></div><div class=""><div style="margin:0in;font-size:11pt;font-family:Calibri,sans-serif;background-color:white" class=""><span style="font-size:12pt;font-family:"Noto Mono",serif" class="">F90-F-0004-Corrupt or Old Module file /home/chandan_prescience_in/softwares/q-e-qe-6.7.0/FoX/finclude/m_common_io.mod (fox_init_module.f90: 4)</span><span style="font-size:12pt;font-family:"Noto Mono",serif" class=""><u class=""></u><u class=""></u></span></div></div><div class=""><div style="margin:0in;font-size:11pt;font-family:Calibri,sans-serif;background-color:white" class=""><span style="font-size:12pt;font-family:"Noto Mono",serif" class="">F90/x86-64 Linux Flang - 1.5 2017-05-01: compilation aborted</span><span style="font-size:12pt;font-family:"Noto Mono",serif" class=""><u class=""></u><u class=""></u></span></div></div><div class=""><div style="margin:0in;font-size:11pt;font-family:Calibri,sans-serif;background-color:white" class=""><span style="font-size:12pt;font-family:"Noto Mono",serif" class="">make[1]: *** [../make.inc:16: fox_init_module.o] Error 1</span><span style="font-size:12pt;font-family:"Noto Mono",serif" class=""><u class=""></u><u class=""></u></span></div></div><div class=""><div style="margin:0in;font-size:11pt;font-family:Calibri,sans-serif;background-color:white" class=""><span style="font-size:12pt;font-family:"Noto Mono",serif" class="">make[1]: Leaving directory '/home/chandan_prescience_in/softwares/q-e-qe-6.7.0/Modules'</span><span style="font-size:12pt;font-family:"Noto Mono",serif" class=""><u class=""></u><u class=""></u></span></div></div><div class=""><div style="margin:0in;font-size:11pt;font-family:Calibri,sans-serif;background-color:white" class=""><span style="font-size:12pt;font-family:"Noto Mono",serif" class="">make: *** [Makefile:179: mods] Error 1</span><span style="font-size:12pt;font-family:"Noto Mono",serif" class=""><u class=""></u><u class=""></u></span></div></div><div class=""><div style="margin:0in;font-size:11pt;font-family:Calibri,sans-serif;background-color:white" class=""><span style="font-size:12pt;font-family:"Noto Mono",serif" class=""><br class=""><br class=""></span><span style="font-size:12pt;font-family:"Noto Mono",serif" class=""><u class=""></u><u class=""></u></span></div></div></div><div class=""><div class=""><div class=""><div style="margin:0in;font-size:11pt;font-family:Calibri,sans-serif" class=""><span style="font-size:11.5pt;font-family:"Noto Sans",serif" class="">--<br class="">Chandan Kumar Choudhury, PhD<br class="">Senior Scientist (Computational Science)<br class="">Prescience.in<u class=""></u><u class=""></u></span></div></div></div></div><div style="margin:0in;font-size:11pt;font-family:Calibri,sans-serif" class=""><u class=""></u> <u class=""></u></div><div class=""><blockquote style="margin-top:5pt;margin-bottom:5pt" class=""><div class=""><div style="margin:0in;font-size:11pt;font-family:Calibri,sans-serif" class="">On Mar 11, 2021, at 7:40 PM, Paolo Giannozzi <<a href="mailto:p.giannozzi@gmail.com" style="color:blue;text-decoration:underline" target="_blank" class="">p.giannozzi@gmail.com</a>> wrote:<u class=""></u><u class=""></u></div></div><div style="margin:0in;font-size:11pt;font-family:Calibri,sans-serif" class=""><u class=""></u> <u class=""></u></div><div class=""><div class=""><div class=""><div style="margin:0in;font-size:11pt;font-family:Calibri,sans-serif" class=""><span style="font-size:11.5pt;font-family:NotoSans-Regular,serif" class="">rm FoX/include/delete m_commom_io.mod<u class=""></u><u class=""></u></span></div></div></div><div style="margin:0in;font-size:11pt;font-family:Calibri,sans-serif" class=""><span style="font-size:11.5pt;font-family:NotoSans-Regular,serif" class="">Not enough? "make clean", then "make [what-you-need]"</span><u class=""></u><u class=""></u></div></div></blockquote></div><div style="margin:0in;font-size:11pt;font-family:Calibri,sans-serif" class=""><u class=""></u> <u class=""></u></div><div style="margin:0in;font-size:11pt;font-family:Calibri,sans-serif" class=""><span style="font-family:Calibri,sans-serif;color:windowtext;font-weight:normal;font-style:normal" class=""><span style="font-size:12pt" class=""><u class=""></u> <u class=""></u></span></span></div></div><span style="font-family:NotoSans-Regular;font-size:15px;font-style:normal;font-variant-caps:normal;font-weight:normal;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;float:none;display:inline" class="">_______________________________________________</span><br style="font-family:NotoSans-Regular;font-size:15px;font-style:normal;font-variant-caps:normal;font-weight:normal;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px" class=""><span style="font-family:NotoSans-Regular;font-size:15px;font-style:normal;font-variant-caps:normal;font-weight:normal;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;float:none;display:inline" class="">Quantum ESPRESSO is supported by MaX (</span><a href="http://www.max-centre.eu/" style="color:blue;text-decoration:underline;font-family:NotoSans-Regular;font-size:15px;font-style:normal;font-variant-caps:normal;font-weight:normal;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px" target="_blank" class="">www.max-centre.eu</a><span style="font-family:NotoSans-Regular;font-size:15px;font-style:normal;font-variant-caps:normal;font-weight:normal;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;float:none;display:inline" class="">)</span><br style="font-family:NotoSans-Regular;font-size:15px;font-style:normal;font-variant-caps:normal;font-weight:normal;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px" class=""><span style="font-family:NotoSans-Regular;font-size:15px;font-style:normal;font-variant-caps:normal;font-weight:normal;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;float:none;display:inline" class="">users mailing list<span class=""> </span></span><a href="mailto:users@lists.quantum-espresso.org" style="color:blue;text-decoration:underline;font-family:NotoSans-Regular;font-size:15px;font-style:normal;font-variant-caps:normal;font-weight:normal;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px" target="_blank" class="">users@lists.quantum-espresso.org</a><br style="font-family:NotoSans-Regular;font-size:15px;font-style:normal;font-variant-caps:normal;font-weight:normal;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px" class=""><a href="https://lists.quantum-espresso.org/mailman/listinfo/users" style="color:blue;text-decoration:underline;font-family:NotoSans-Regular;font-size:15px;font-style:normal;font-variant-caps:normal;font-weight:normal;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px" target="_blank" class="">https://lists.quantum-espresso.org/mailman/listinfo/users</a></div></blockquote></div><br class=""></div></div>_______________________________________________<br class="">
Quantum ESPRESSO is supported by MaX (<a href="http://www.max-centre.eu/" rel="noreferrer" target="_blank" class="">www.max-centre.eu</a>)<br class="">
users mailing list <a href="mailto:users@lists.quantum-espresso.org" target="_blank" class="">users@lists.quantum-espresso.org</a><br class="">
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_______________________________________________<br class="">Quantum ESPRESSO is supported by MaX (<a href="http://www.max-centre.eu" class="">www.max-centre.eu</a>)<br class="">users mailing list <a href="mailto:users@lists.quantum-espresso.org" class="">users@lists.quantum-espresso.org</a><br class=""><a href="https://lists.quantum-espresso.org/mailman/listinfo/users" class="">https://lists.quantum-espresso.org/mailman/listinfo/users</a></div></blockquote></div><br class=""></div></body></html>