<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, I’m working with your input variables and the latest DEVELOPMENT version downloaded yesterday.<div class=""><br class=""></div><div class="">There should be something wrong with configure. The error I’m facing is</div><div class="">configure: error: in `/home/cantele/q-e-develop':<br class="">configure: error: Couldn't find libcuda<br class="">See `config.log' for more details</div><div class=""><br class=""></div><div class="">If I look within config.log it tries to make the following compilation:</div><div class="">pgcc -o conftest -g -O2 conftest.c -lcuda -L/opt/nvidia/hpc_sdk/Linux_x86_64/21.3/cuda/11.2/lib64 -lcuda -lcudart -lcublas -lcufft >&5</div><div class=""><br class=""></div><div class="">And indeed, at the end, the summary of the variables reports, among the others:</div><div class="">CUDA_LDLIBS=' -L/opt/nvidia/hpc_sdk/Linux_x86_64/21.3/cuda/11.2/lib64 -lcuda -lcudart -lcublas -lcufft’</div><div class=""><br class=""></div><div class="">However, /opt/nvidia/hpc_sdk/Linux_x86_64/21.3/cuda/11.2/lib64 does NOT contain libcufft, libcublas but only libcudart. The former are within /opt/nvidia/hpc_sdk/Linux_x86_64/21.3/REDIST/math_libs/11.2/lib64/</div><div class="">but it seems that configure does not look through all the directories in LD_LIBRARY_PATH.</div><div class=""><br class=""></div><div class="">Is that possible?</div><div class=""><br class=""></div><div class="">Thanks in any case, I’ll let you know if I manage to solve those issues.</div><div class=""><br class=""></div><div class="">Giovanni<br class=""><div><br class=""><blockquote type="cite" class=""><div class="">On 15 Apr 2021, at 22:22, Paolo Giannozzi <<a href="mailto:p.giannozzi@gmail.com" class="">p.giannozzi@gmail.com</a>> wrote:</div><br class="Apple-interchange-newline"><div class=""><div dir="ltr" class=""><div class="">This is what I have used, with some success. If you do not have MKL libraries, you should get</div><div class=""> BLAS_LIBS=-llapack -lblas <br class=""></div><div class="">or something like that<br class=""></div><div class=""><br class=""></div><div class="">Paolo<br class=""></div></div><br class=""><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Thu, Apr 15, 2021 at 5:27 PM 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="">I downloaded the latest development version. Could you share the needed configure options and environment variables that allowed you to get a clean compilation?<div class=""><br class=""></div><div class="">Thank you again,</div><div class=""><br class=""></div><div class=""> Giovanni<br class=""><div class=""><br class=""><blockquote type="cite" class=""><div class="">On 15 Apr 2021, at 14:50, Giovanni Cantele <<a href="mailto:giovanni.cantele@spin.cnr.it" target="_blank" class="">giovanni.cantele@spin.cnr.it</a>> wrote:</div><br class=""><div class=""><div style="overflow-wrap: break-word;" class="">It was the lates stable (qe-6.7-ReleasePack.tgz).<div class=""><br class=""></div><div class="">Where can I find the all needed environment variables?</div><div class=""><br class=""></div><div class="">Thanks,</div><div class=""><br class=""></div><div class="">Giovanni<br class=""><div class=""><br class=""><blockquote type="cite" class=""><div class="">On 15 Apr 2021, at 14:44, Paolo Giannozzi <<a href="mailto:p.giannozzi@gmail.com" target="_blank" class="">p.giannozzi@gmail.com</a>> wrote:</div><br class=""><div class=""><div dir="ltr" class=""><div dir="ltr" class="">On Thu, Apr 15, 2021 at 2:01 PM Giovanni Cantele <<a href="mailto:giovanni.cantele@spin.cnr.it" target="_blank" class="">giovanni.cantele@spin.cnr.it</a>> wrote:</div><div dir="ltr" class=""><br class=""></div><div class="gmail_quote"><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div class="">I’m trying to compile the latest QE version</div></blockquote><div class=""><br class=""></div><div class="">"latest stable" or "latest development"? GPU support is work in progress (or maybe "in regress"): don't count on the stable version to support the latest compiler. <br class=""></div><div class=""> <br class=""><div class="">I can tell you for sure that with a correct nvidia hpc_sdk 21.3 installation + all needed environment variables defined + all needed configure options (+ MKL libraries: I don't trust too much blas and lapack from the nvidia compiler) the latest development version compiles and works.</div><div class=""><br class=""></div><div class="">Paolo<br class=""></div></div></div>-- <br class=""><div dir="ltr" class=""><div dir="ltr" class=""><div class=""><div dir="ltr" class=""><div class="">Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br class="">Univ. Udine, via delle Scienze 206, 33100 Udine, Italy<br class="">Phone +39-0432-558216, fax +39-0432-558222<br class=""><br class=""></div></div></div></div></div></div>
_______________________________________________<br class="">Quantum ESPRESSO is supported by MaX (<a href="http://www.max-centre.eu/" 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" 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/" 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" 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="">
<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 clear="all" class=""><br class="">-- <br class=""><div dir="ltr" class="gmail_signature"><div dir="ltr" class=""><div class=""><div dir="ltr" class=""><div class="">Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br class="">Univ. Udine, via delle Scienze 206, 33100 Udine, Italy<br class="">Phone +39-0432-558216, fax +39-0432-558222<br class=""><br class=""></div></div></div></div></div>
<span id="cid:f_knjbvfvi0"><cuda.txt></span>_______________________________________________<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>