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<div class="moz-cite-prefix">Hi Chandan,</div>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix">if AMD does not set any magical
compiler settings during compilation you should get the same
performance. Personally, I just use the precompiled binaries.</div>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix">Best,</div>
<div class="moz-cite-prefix">Tobias</div>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix">On 3/12/21 6:24 AM, Chandan Kumar
Choudhury wrote:<br>
</div>
<blockquote type="cite"
cite="mid:1E2D3165-2A2A-4D94-A6A3-6425F8AD90DC@g.clemson.edu">
<meta http-equiv="Content-Type" content="text/html; charset=UTF-8">
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>
</div>
<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=""
moz-do-not-send="true">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=""
moz-do-not-send="true">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>
</div>
<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=""
moz-do-not-send="true">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></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=""> </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></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=""> </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></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></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></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></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. </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=""> </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></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></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=""> </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 </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=""> </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=""
moz-do-not-send="true">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=""> </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=""
moz-do-not-send="true">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=""
moz-do-not-send="true">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=""> </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=""></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=""></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=""></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=""></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=""></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=""></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=""></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=""></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=""></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=""></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=""> </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=""></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=""></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=""></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=""></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=""></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=""></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=""></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</span></div>
</div>
</div>
</div>
<div
style="margin:0in;font-size:11pt;font-family:Calibri,sans-serif"
class=""> </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=""
moz-do-not-send="true">p.giannozzi@gmail.com</a>>
wrote:</div>
</div>
<div
style="margin:0in;font-size:11pt;font-family:Calibri,sans-serif"
class=""> </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</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></div>
</div>
</blockquote>
</div>
<div
style="margin:0in;font-size:11pt;font-family:Calibri,sans-serif"
class=""> </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=""> </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=""
moz-do-not-send="true">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=""
moz-do-not-send="true">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=""
moz-do-not-send="true">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="" moz-do-not-send="true">www.max-centre.eu</a>)<br
class="">
users mailing list <a
href="mailto:users@lists.quantum-espresso.org"
target="_blank" class="" moz-do-not-send="true">users@lists.quantum-espresso.org</a><br
class="">
<a
href="https://lists.quantum-espresso.org/mailman/listinfo/users"
rel="noreferrer" target="_blank" class=""
moz-do-not-send="true">https://lists.quantum-espresso.org/mailman/listinfo/users</a></blockquote>
</div>
_______________________________________________<br
class="">
Quantum ESPRESSO is supported by MaX (<a
href="http://www.max-centre.eu" class=""
moz-do-not-send="true">www.max-centre.eu</a>)<br
class="">
users mailing list <a
href="mailto:users@lists.quantum-espresso.org" class=""
moz-do-not-send="true">users@lists.quantum-espresso.org</a><br
class="">
<a
href="https://lists.quantum-espresso.org/mailman/listinfo/users"
class="" moz-do-not-send="true">https://lists.quantum-espresso.org/mailman/listinfo/users</a></div>
</blockquote>
</div>
<br class="">
</div>
<br>
<fieldset class="mimeAttachmentHeader"></fieldset>
<pre class="moz-quote-pre" wrap="">_______________________________________________
Quantum ESPRESSO is supported by MaX (<a class="moz-txt-link-abbreviated" href="http://www.max-centre.eu">www.max-centre.eu</a>)
users mailing list <a class="moz-txt-link-abbreviated" href="mailto:users@lists.quantum-espresso.org">users@lists.quantum-espresso.org</a>
<a class="moz-txt-link-freetext" href="https://lists.quantum-espresso.org/mailman/listinfo/users">https://lists.quantum-espresso.org/mailman/listinfo/users</a></pre>
</blockquote>
<p><br>
</p>
<pre class="moz-signature" cols="72">--
M.Sc. Tobias Klöffel
=======================================================
HPC (High Performance Computing) group
Erlangen Regional Computing Center(RRZE)
Friedrich-Alexander-Universität Erlangen-Nürnberg
Martensstr. 1
91058 Erlangen
Room: 1.133
Phone: +49 (0) 9131 / 85 - 20101
=======================================================
E-mail: <a class="moz-txt-link-abbreviated" href="mailto:tobias.kloeffel@fau.de">tobias.kloeffel@fau.de</a></pre>
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