<html><head><meta http-equiv="Content-Type" content="text/html; charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class="">Thank you all for so many hints!<div class=""><br class=""></div><div class="">Paolo’s suggestion seems to work, but besides BLAS_LIBS it is necessary to set LAPACK_LIBS as well, the internal $(TOPDI$)…. lapack</div><div class="">lib is selected otherwise.</div><div class=""><br class=""></div><div class="">Now things seem to work (with exception of unresolved do to some link mismatch of Intel MKL and PGI OpenMPI, that I can hopefully solve by myself).</div><div class=""><br class=""></div><div class="">The remaining issue is that if I try to set up FCFLAGS, again they are checked against gfortran, so the configure fails if those flags are not recognised by gfortran.</div><div class="">In other words: with NO FCFLAGS set up, nvfortran is selected correctly. But if I set up FCFLAGS, then the selected compiler is gfortran. Any suggestion on how to override</div><div class="">this choice?</div><div class=""><br class=""></div><div class="">Thanks again to all.</div><div class=""><br class=""></div><div class="">Giovanni<br class=""><div><br class=""><blockquote type="cite" class=""><div class="">On 8 Mar 2022, at 16:39, 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="">The error message indicates -lmkl_intel_lp64 failed to find libmkl_intel_lp64.so file on the default library search path known by the compiler.</div><div class="">How to fix that? You can either add the directory to the default search path or specify the search path with -L${DIR}.<br class=""></div><div class="">1. <span class="gmail-im">LDFLAGS=“-L${MKLROOT}/lib/intel64" whether it fixes the issue or not depends on if this flag is propagated to the configure internal test line. In addition its location on the linking line may also matter.<br class=""></span></div><div class=""><span class="gmail-im">2. Add  <span class="gmail-im">"${MKLROOT}/lib/intel64" to the environment variable LIBRARY_PATH which may be honored by some compilers.</span></span></div><div class=""><span class="gmail-im"><span class="gmail-im">Remember don't try to set <span class="gmail-im"><span class="gmail-im">LIBRARY_PATH persistent in your environment. It may cause surprise another day when you try to use a different MKL installation without deleting this line in your bashrc.</span></span></span></span></div><div class=""><span class="gmail-im"><span class="gmail-im"><span class="gmail-im"><span class="gmail-im"><br class=""></span></span></span></span></div><div class=""><span class="gmail-im"><span class="gmail-im"><span class="gmail-im"><span class="gmail-im">I would say both methods are not friendly to users. You could try CMake. <a href="https://gitlab.com/QEF/q-e/-/wikis/Developers/CMake-build-system" class="">https://gitlab.com/QEF/q-e/-/wikis/Developers/CMake-build-system</a></span></span></span></span></div><div class=""><span class="gmail-im"><span class="gmail-im"><span class="gmail-im"><span class="gmail-im">What we do with CMake is first locate the exact library file and specify the full path on the link line.</span></span></span></span></div><div class=""><span class="gmail-im"><span class="gmail-im"><span class="gmail-im"><span class="gmail-im">Hopefully it gives you a chance of successful compilation.</span></span></span></span></div><div class=""><span class="gmail-im"><span class="gmail-im"><span class="gmail-im"><span class="gmail-im"><br class=""></span></span></span></span></div><div class=""><span class="gmail-im"><span class="gmail-im"><span class="gmail-im"><span class="gmail-im">Best,<br class=""></span></span></span></span></div><div class=""><span class="gmail-im"><span class="gmail-im"><span class="gmail-im"><span class="gmail-im">Ye<br class=""></span></span></span></span></div><div class=""><span class="gmail-im"><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 Tue, Mar 8, 2022 at 6:15 AM Giovanni Cantele <<a href="mailto:giovanni.cantele@spin.cnr.it" class="">giovanni.cantele@spin.cnr.it</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="">Dear Pietro, I tried both, but it does not work.<div class=""><br class=""></div><div class="">My LD_LIBRARY_PATH after sourcing vars.sh is</div><div class="">/nfsexports/intel/oneapi/mkl/2021.1.1/env/../lib/intel64:/nfsexports/nvidia/hpc_sdk/Linux_x86_64/20.11/cuda/lib64:/nfsexports/nvidia/hpc_sdk/Linux_x86_64/20.11/compilers/lib:/nfsexports/nvidia/hpc_sdk/Linux_x86_64/20.11/math_libs/lib64:/nfsexports/nvidia/hpc_sdk/Linux_x86_64/20.11/comm_libs/mpi/lib:/nfsexports/nvidia/hpc_sdk/Linux_x86_64/20.11/comm_libs/nccl/lib:/nfsexports/nvidia/hpc_sdk/Linux_x86_64/20.11/comm_libs/nvshmem/lib:/usr/mpi/gcc/openmpi-4.1.0rc5/lib64:</div><div class="">that indeed contains the bat to MKL library.</div><div class=""><br class=""></div><div class="">In install/config.log I find, among the others, this message:</div><div class="">configure:5252: nvfortran -o conftest -fast -Mcache_align -Mpreprocess -Mlarge_arrays -mp  -mp   conftest.f -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core   >&5<br class="">/usr/bin/ld: cannot find -lmkl_intel_lp64<br class="">/usr/bin/ld: cannot find -lmkl_intel_thread<br class="">/usr/bin/ld: cannot find -lmkl_core</div><div class=""><br class=""></div><div class="">It is like although LD_LIBRARY_PATH contains the correct path to the library, ld cannot find it. On the other hand, if I pass the whole link command using LDFLAGS, then configure for some reason finds</div><div class="">gfrotran in place of nvfortran and then exits with errors.</div><div class=""><br class=""></div><div class="">Giovanni<br class=""><div class=""><br class=""><blockquote type="cite" class=""><div class="">On 8 Mar 2022, at 13:00, Pietro Davide Delugas <<a href="mailto:pdelugas@sissa.it" target="_blank" class="">pdelugas@sissa.it</a>> wrote:</div><br class=""><div class=""><div style="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;text-decoration:none;font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt" class="">dear Giovanni<span class=""> </span><br class=""></div><div style="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;text-decoration:none;font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt" class="">you could  try just adding the /.../mkl/lib/intel64/ to the LD_LIBRARY_PATH or<span class=""> </span><br class=""></div><div style="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;text-decoration:none;font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt" class="">source of the /mkl/<version>/env/vars.sh script and then running the configure script<span class=""> </span><br class=""></div><div style="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;text-decoration:none;font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt" class=""><br class=""></div><div style="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;text-decoration:none;font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt" class="">Hope this solves your problem </div><div style="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;text-decoration:none;font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt" class="">greetings<span class=""> </span><br class=""></div><div style="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;text-decoration:none;font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt" class="">Pietro<span class=""> </span><br class=""></div><div id="gmail-m_2593989294490462953appendonsend" style="font-family:Helvetica;font-size:18px;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;text-decoration:none" class=""></div><hr style="font-family:Helvetica;font-size:18px;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;text-decoration:none;display:inline-block;width:1797.31px" class=""><span style="font-family:Helvetica;font-size:18px;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;text-decoration:none;float:none;display:inline" class=""></span><div id="gmail-m_2593989294490462953divRplyFwdMsg" dir="ltr" style="font-family:Helvetica;font-size:18px;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;text-decoration:none" class=""><font style="font-size:11pt" face="Calibri, sans-serif" class=""><b class="">Da:</b><span class=""> </span>users <<a href="mailto:users-bounces@lists.quantum-espresso.org" target="_blank" class="">users-bounces@lists.quantum-espresso.org</a>> per conto di Giovanni Cantele <<a href="mailto:giovanni.cantele@spin.cnr.it" target="_blank" class="">giovanni.cantele@spin.cnr.it</a>><br class=""><b class="">Inviato:</b><span class=""> </span>martedì 8 marzo 2022 12:46<br class=""><b class="">A:</b><span class=""> </span>Quantum ESPRESSO users Forum <<a href="mailto:users@lists.quantum-espresso.org" target="_blank" class="">users@lists.quantum-espresso.org</a>><br class=""><b class="">Oggetto:</b><span class=""> </span>[QE-users] qe-gpu 7.0 - compilation issue (MKL not detected)</font><div class=""> </div></div><div style="font-family:Helvetica;font-size:18px;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;text-decoration:none" class="">Dear all,<div class=""><br class=""></div><div class="">I’m trying to configure the compilation of qe-7.0 on GPUs. I’m using the following script to launch configure:</div><div class="">-------------------------------------------------------------------------------------------------------------------</div><div class="">export VERSION=21.3<br class="">export VERSION=20.11<br class="">export CUDA_VERSION=11.1<br class=""><br class="">export NVHPC=/nfsexports/nvidia/hpc_sdk<br class=""><br class="">nvcudadir=$NVHPC/Linux_x86_64/$VERSION/cuda<br class="">nvcompdir=$NVHPC/Linux_x86_64/$VERSION/compilers<br class="">nvmathdir=$NVHPC/Linux_x86_64/$VERSION/math_libs<br class="">nvcommdir=$NVHPC/Linux_x86_64/$VERSION/comm_libs<br class=""><br class="">export OPAL_PREFIX=$nvcommdir/mpi<br class=""><br class="">export MANPATH=$MANPATH:$nvcompdir/man<br class=""><br class="">PATH=$nvcudadir/bin:$nvcompdir/bin:$nvcommdir/mpi/bin:$PATH<br class="">export PATH<br class=""><br class="">CPATH=$nvcudadir/include:$nvmathdir/include:$nvcommdir/mpi/include:$nvcommdir/nccl/include:$nvcommdir/nvshmem/include:$CPATH<br class="">export CPATH<br class=""><br class="">LD_LIBRARY_PATH=$nvcudadir/lib64:$nvcompdir/lib:$nvmathdir/lib64:$nvcommdir/mpi/lib:$nvcommdir/nccl/lib:$nvcommdir/nvshmem/lib:$LD_LIBRARY_PATH<br class="">export LD_LIBRARY_PATH<br class="">. /nfsexports/intel/oneapi/mkl/latest/env/vars.sh<br class=""><br class="">export OMPI_FC=nvfortran<br class="">export CUDA_HOME=$nvcudadir/$CUDA_VERSION<br class=""><br class="">./configure --enable-openmp  --with-cuda=$CUDA_HOME --with-cuda-cc=70 --with-cuda-runtime=11.1 --without-scalapack -with-cuda=yes --enable-cuda-env-check=no </div><div class=""><div class="">-------------------------------------------------------------------------------------------------------------------</div></div><div class=""><br class=""></div><div class=""><br class=""></div><div class="">Now, the problem is that I’m not able to make configure to recognise Intel MKL (2021.1.1 version).</div><div class=""><br class=""></div><div class="">The correct line to link to them is</div><div class=""> -L${MKLROOT}/lib/intel64 -lmkl_intel_ilp64 -lmkl_pgi_thread -lmkl_core -pgf90libs -mp -lpthread -lm -ldl</div><div class="">and adding </div><div class=""> -i8  -I"${MKLROOT}/include”</div><div class="">to the compiler options.</div><div class=""><br class=""></div><div class="">However, if I try to run the above configure command adding</div><div class="">LDFLAGS=“-L${MKLROOT}/lib/intel64 -lmkl_intel_ilp64 -lmkl_pgi_thread -lmkl_core -pgf90libs -mp -lpthread -lm -ldl”</div><div class="">the configure stops finding the cuda enviroment, selects gfortran as compiler and exits with error. On the other hand, if I skip LDFLAGS (but</div><div class="">with MKLROOT correctly set up), the cuda environment is correctly detected but MKL are not automatically detected.</div><div class=""><br class=""></div><div class="">Could you please check the above script and, possibly, give any hint useful to solve the issue?</div><div class=""><br class=""></div><div class="">I thank you all in advance.</div><div class=""><br class=""></div><div class="">Giovanni</div><div class=""><br class=""></div><div class=""><br class=""></div><div class=""><br class=""><div class=""><div style="text-align:start;text-indent:0px" class=""><span style="letter-spacing:normal;text-transform:none;white-space:normal;word-spacing:0px" class="">-- <br class=""><br class="">Giovanni Cantele, PhD<br class="">CNR-SPIN<br class="">c/o Dipartimento di Fisica<br class="">Universita' di Napoli "Federico II"<br class="">Complesso Universitario M. S. Angelo - Ed. 6<br class="">Via Cintia, I-80126, Napoli, Italy<br class=""><a href="mailto:giovanni.cantele@spin.cnr.it" target="_blank" class="">e-mail: giovanni.cantele@spin.cnr.it</a><br class="">Phone: +39 081 676910<br class="">Skype contact: giocan74<br class=""><br class="">ResearcherID: <a href="http://www.researcherid.com/rid/A-1951-2009" target="_blank" class="">http://www.researcherid.com/rid/A-1951-2009</a><br class="">Web page:<span class=""> </span></span><a href="https://sites.google.com/view/giovanni-cantele/home" target="_blank" class="">https://sites.google.com/view/giovanni-cantele/home</a></div></div><br class=""></div></div><span style="font-family:Helvetica;font-size:18px;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;text-decoration:none;float:none;display:inline" class="">_______________________________________________</span><br style="font-family:Helvetica;font-size:18px;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;text-decoration:none" class=""><span style="font-family:Helvetica;font-size:18px;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;text-decoration:none;float:none;display:inline" class="">The Quantum ESPRESSO community stands by the Ukrainian</span><br style="font-family:Helvetica;font-size:18px;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;text-decoration:none" class=""><span style="font-family:Helvetica;font-size:18px;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;text-decoration:none;float:none;display:inline" class="">people and expresses its concerns about the devastating</span><br style="font-family:Helvetica;font-size:18px;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;text-decoration:none" class=""><span style="font-family:Helvetica;font-size:18px;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;text-decoration:none;float:none;display:inline" class="">effects that the Russian military offensive has on their</span><br style="font-family:Helvetica;font-size:18px;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;text-decoration:none" class=""><span style="font-family:Helvetica;font-size:18px;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;text-decoration:none;float:none;display:inline" class="">country and on the free and peaceful scientific, cultural,</span><br style="font-family:Helvetica;font-size:18px;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;text-decoration:none" class=""><span style="font-family:Helvetica;font-size:18px;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;text-decoration:none;float:none;display:inline" class="">and economic cooperation amongst peoples</span><br style="font-family:Helvetica;font-size:18px;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;text-decoration:none" class=""><span style="font-family:Helvetica;font-size:18px;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;text-decoration:none;float:none;display:inline" class="">_______________________________________________</span><br style="font-family:Helvetica;font-size:18px;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;text-decoration:none" class=""><span style="font-family:Helvetica;font-size:18px;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;text-decoration:none;float:none;display:inline" class="">Quantum ESPRESSO is supported by MaX (</span><a href="http://www.max-centre.eu/" style="font-family:Helvetica;font-size:18px;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:Helvetica;font-size:18px;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;text-decoration:none;float:none;display:inline" class="">)</span><br style="font-family:Helvetica;font-size:18px;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;text-decoration:none" class=""><span style="font-family:Helvetica;font-size:18px;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;text-decoration:none;float:none;display:inline" class="">users mailing list<span class=""> </span></span><a href="mailto:users@lists.quantum-espresso.org" style="font-family:Helvetica;font-size:18px;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:Helvetica;font-size:18px;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;text-decoration:none" class=""><a href="https://lists.quantum-espresso.org/mailman/listinfo/users" style="font-family:Helvetica;font-size:18px;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 class="">
<div style="text-align:start;text-indent:0px" class=""><span style="letter-spacing: normal; text-transform: none; white-space: normal; word-spacing: 0px;" class="">-- <br class=""><br class="">Giovanni Cantele, PhD<br class="">CNR-SPIN<br class="">c/o Dipartimento di Fisica<br class="">Universita' di Napoli "Federico II"<br class="">Complesso Universitario M. S. Angelo - Ed. 6<br class="">Via Cintia, I-80126, Napoli, Italy<br class=""><a href="mailto:giovanni.cantele@spin.cnr.it" target="_blank" class="">e-mail: giovanni.cantele@spin.cnr.it</a><br class="">Phone: +39 081 676910<br class="">Skype contact: giocan74<br class=""><br class="">ResearcherID: <a href="http://www.researcherid.com/rid/A-1951-2009" target="_blank" class="">http://www.researcherid.com/rid/A-1951-2009</a><br class="">Web page:<span class=""> </span></span><a href="https://sites.google.com/view/giovanni-cantele/home" target="_blank" class="">https://sites.google.com/view/giovanni-cantele/home</a></div>
</div>
<br class=""></div></div>_______________________________________________<br class="">
The Quantum ESPRESSO community stands by the Ukrainian<br class="">
people and expresses its concerns about the devastating<br class="">
effects that the Russian military offensive has on their<br class="">
country and on the free and peaceful scientific, cultural,<br class="">
and economic cooperation amongst peoples<br class="">
_______________________________________________<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="">
<a href="https://lists.quantum-espresso.org/mailman/listinfo/users" rel="noreferrer" target="_blank" class="">https://lists.quantum-espresso.org/mailman/listinfo/users</a></blockquote></div>
_______________________________________________<br class="">The Quantum ESPRESSO community stands by the Ukrainian<br class="">people and expresses its concerns about the devastating<br class="">effects that the Russian military offensive has on their<br class="">country and on the free and peaceful scientific, cultural,<br class="">and economic cooperation amongst peoples<br class="">_______________________________________________<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 class="">
<div style="text-align: start; text-indent: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><span style="color: rgb(0, 0, 0); letter-spacing: normal; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px;" class="">-- <br class=""><br class="">Giovanni Cantele, PhD<br class="">CNR-SPIN<br class="">c/o Dipartimento di Fisica<br class="">Universita' di Napoli "Federico II"<br class="">Complesso Universitario M. S. Angelo - Ed. 6<br class="">Via Cintia, I-80126, Napoli, Italy<br class=""><a href="mailto:giovanni.cantele@spin.cnr.it" class="">e-mail: giovanni.cantele@spin.cnr.it</a><br class="">Phone: +39 081 676910<br class="">Skype contact: giocan74<br class=""><br class="">ResearcherID: http://www.researcherid.com/rid/A-1951-2009<br class="">Web page:<span class="Apple-converted-space"> </span></span><a href="https://sites.google.com/view/giovanni-cantele/home" class="">https://sites.google.com/view/giovanni-cantele/home</a></div>
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