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<p class="MsoNormal"><span class="DefaultFontHxMailStyle"><span style="font-size:12.0pt">Hello<o:p></o:p></span></span></p>
<p class="MsoNormal"><span class="DefaultFontHxMailStyle"><span style="font-size:12.0pt"><o:p> </o:p></span></span></p>
<p class="MsoNormal"><span class="DefaultFontHxMailStyle"><span style="font-size:12.0pt">It¡¦s hard to say what went wrong without inspecting the log files.
<o:p></o:p></span></span></p>
<p class="MsoNormal"><span class="DefaultFontHxMailStyle"><span style="font-size:12.0pt">It seems that autoconf wasn¡¦t able to compile the test program; usually it happens because the shared libraries are not in
<o:p></o:p></span></span></p>
<p class="MsoNormal"><span class="DefaultFontHxMailStyle"><span style="font-size:12.0pt">the LD_LIBRARY_PATH. But this is not your case<o:p></o:p></span></span></p>
<p class="MsoNormal"><span class="DefaultFontHxMailStyle"><span style="font-size:12.0pt"><o:p> </o:p></span></span></p>
<p class="MsoNormal"><span class="DefaultFontHxMailStyle"><span style="font-size:12.0pt">You should check what compilers are set in the make.inc file ( the lines with F90= ¡K , MPIF90= ¡K ) these are the compiler that devxlig config tries to use.
<o:p></o:p></span></span></p>
<p class="MsoNormal"><span class="DefaultFontHxMailStyle"><span style="font-size:12.0pt"><o:p> </o:p></span></span></p>
<p class="MsoNormal"><span class="DefaultFontHxMailStyle"><span style="font-size:12.0pt">You can also try to compile the program using the CMake build system (see<a href="https://gitlab.com/QEF/q-e/-/wikis/Developers/CMake-build-system"> here</a>) it is unusual
that they both fail¡K <o:p></o:p></span></span></p>
<p class="MsoNormal"><span class="DefaultFontHxMailStyle"><span style="font-size:12.0pt">Hope it helps<o:p></o:p></span></span></p>
<p class="MsoNormal"><span class="DefaultFontHxMailStyle"><span style="font-size:12.0pt">Kind regards ¡V Pietro
<o:p></o:p></span></span></p>
<p class="MsoNormal">Sent from <a href="https://go.microsoft.com/fwlink/?LinkId=550986">
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<p class="MsoNormal" style="border:none;padding:0in"><b>From: </b><a href="mailto:ctec.inagaki@gmail.com">inagaki ctec</a><br>
<b>Sent: </b>Thursday, September 23, 2021 4:28 AM<br>
<b>To: </b><a href="mailto:users@lists.quantum-espresso.org">users@lists.quantum-espresso.org</a><br>
<b>Subject: </b>[QE-users] qe-6.8 with CUDA compiling unsuccessfully</p>
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<p class="MsoNormal"><span class="DefaultFontHxMailStyle"><span style="font-size:12.0pt"><o:p> </o:p></span></span></p>
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<p class="MsoNormal">Dear experts.<o:p></o:p></p>
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<p class="MsoNormal"><o:p> </o:p></p>
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<p class="MsoNormal">I am trying to compile qe-6.8 with CUDA.<o:p></o:p></p>
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<p class="MsoNormal">But stacked at make which said to me,<o:p></o:p></p>
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<p class="MsoNormal"><o:p> </o:p></p>
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<p class="MsoNormal">~~~<o:p></o:p></p>
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<p class="MsoNormal">checking whether we are cross compiling... configure: error: in `/home/jun/codes/qe-6.8/external/devxlib':<br>
configure: error: cannot run Fortran compiled programs.<o:p></o:p></p>
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<p class="MsoNormal">~~~<o:p></o:p></p>
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<p class="MsoNormal"><o:p> </o:p></p>
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<p class="MsoNormal">Information:<o:p></o:p></p>
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<p class="MsoNormal"><o:p> </o:p></p>
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<p class="MsoNormal">When echo,<o:p></o:p></p>
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<p class="MsoNormal">$ echo $LD_LIBRARY_PATH<br>
/opt/nvidia/hpc_sdk/Linux_x86_64/21.9/comm_libs/mpi/lib/:/opt/nvidia/hpc_sdk/Linux_x86_64/2021/compilers/lib/:/opt/nvidia/hpc_sdk/Linux_x86_64/21.9/REDIST/compilers/lib/:<o:p></o:p></p>
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<p class="MsoNormal"><o:p> </o:p></p>
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<p class="MsoNormal">configuration is:<o:p></o:p></p>
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<p class="MsoNormal">F77=pgf77 F90=pgf90 MPIF90=pgf90 ./configure --prefix=/home/jun/codes/qe-6.8 --with-cuda=yes --with-cuda-runtime=11.4 --with-cuda-cc=70 --disable-parallel<o:p></o:p></p>
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<p class="MsoNormal"><o:p> </o:p></p>
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<p class="MsoNormal">and resulted in:<o:p></o:p></p>
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<p class="MsoNormal">--------------------------------------------------------------------<br>
ESPRESSO can take advantage of several optimized numerical libraries<br>
(essl, fftw, mkl...). This configure script attempts to find them,<br>
but may fail if they have been installed in non-standard locations.<br>
If a required library is not found, the local copy will be compiled.<br>
<br>
The following libraries have been found:<br>
BLAS_LIBS=-lblas <br>
LAPACK_LIBS=-L/opt/nvidia/hpc_sdk/Linux_x86_64/21.9/REDIST/compilers/lib/ -llapack -lblas
<br>
FFT_LIBS= -lfftw3 <br>
<br>
<br>
<br>
Please check if this is what you expect.<br>
<br>
If any libraries are missing, you may specify a list of directories<br>
to search and retry, as follows:<br>
./configure LIBDIRS="list of directories, separated by spaces"<br>
<br>
Configured for compilation of serial executables.<br>
<br>
For more info, read the ESPRESSO User's Guide (Doc/users-guide.tex).<br>
--------------------------------------------------------------------<o:p></o:p></p>
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<p class="MsoNormal">configure: success<o:p></o:p></p>
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<p class="MsoNormal"><o:p> </o:p></p>
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<p class="MsoNormal">Over.<o:p></o:p></p>
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<p class="MsoNormal">Thank you.<o:p></o:p></p>
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<p class="MsoNormal">-- <o:p></o:p></p>
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<p class="MsoNormal">Best Regards,<o:p></o:p></p>
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<p class="MsoNormal"><span style="font-size:9.5pt">Jun Inagaki(</span><span style="font-size:9.5pt;font-family:"MS Gothic"">½_«®</span><span style="font-size:9.5pt">
</span><span style="font-size:9.5pt;font-family:"MS Gothic"">²E</span><span style="font-size:9.5pt">)</span><o:p></o:p></p>
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<p class="MsoNormal">Mobile: (886)918002860<o:p></o:p></p>
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<p class="MsoNormal">Department of Physics, Tamkang University, Taiwan.<span style="font-size:9.5pt"> </span><o:p></o:p></p>
<p class="MsoNormal"><span class="DefaultFontHxMailStyle"><span style="font-size:12.0pt"><o:p> </o:p></span></span></p>
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