<html><head><meta http-equiv="Content-Type" content="text/html; charset=us-ascii"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class="">Thank you! How can binutils effect this? Ron<div class=""><br class=""><div class=""> <div style="color: rgb(0, 0, 0); font-family: Helvetica; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-variant-east-asian: normal; font-variant-position: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class="">---<br class="">Ron Cohen<br class=""><a href="mailto:reco...@gmail.com" class="">reco...@gmail.com</a><br class="">skypename: ronaldcohen</div><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-variant-east-asian: normal; font-variant-position: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class="">twitter: @recohen3<br class=""><div class=""><br class=""></div></div><br class="Apple-interchange-newline"><br class="Apple-interchange-newline"> </div> <div style=""><br class=""><blockquote type="cite" class=""><div class="">On 21. May 2019, at 07:53, Hans Pabst <<a href="mailto:hf....@gmail.com" class="">hf....@gmail.com</a>> wrote:</div><br class="Apple-interchange-newline"><div class=""><div dir="ltr" class=""><div class="">This issue occassionally happens depending on the toolchain. It may have something to do with the version of Bintools. The problem can be avoided with adding IPO=0 to the make-command (no edit of the Make/Arch file needed).</div><br class="">Am Freitag, 12. April 2019 15:53:36 UTC+2 schrieb Ronald Cohen:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;"><div dir="ltr" class=""><div class="">I got the code to build with the following change to the arch file:</div><div class=""><br class=""></div><div class=""> ifneq (0,$(IPO))<br class=""> OPTFLAGS += -flto -Wl,-flto -Wno-lto-type-mismatch<br class=""> else<br class=""> OPTFLAGS += -fno-lto -Wl,-fno-lto -Wno-lto-type-mismatch<br class=""> endif<br class=""></div><div class=""><br class=""></div><div class="">However, now a new problem, with gcc6.3 and with 8.2 and 8.3:</div><div class=""><br class=""></div><div class=""> / \ <wbr class=""> <wbr class=""> *<br class=""> * [ABORT] <wbr class=""> <wbr class=""> *<br class=""> * \___/ Thread number has changed *<br class=""> * | <wbr class=""> <wbr class=""> *<br class=""> * O/| <wbr class=""> <wbr class=""> *<br class=""> * /| | <wbr class=""> <wbr class=""> *<br class=""> * / \ <wbr class=""> dbcsr_dist_methods.F:519 *<br class=""> *****************************<wbr class="">******************************<wbr class="">********************<br class=""><br class=""><br class=""> ===== Routine Calling Stack ===== <br class=""><br class=""> 10 dbcsr_create_new<br class=""> 9 build_overlap_matrix<br class=""> 8 build_core_hamiltonian_matrix<br class=""> 7 qs_energies_init_hamiltonians<br class=""> 6 qs_energies<br class=""> 5 qs_forces<br class=""> 4 cp_eval_at<br class=""> 3 geoopt_bfgs<br class=""> 2 cp_geo_opt<br class=""> 1 CP2K<br class=""></div><div class="">For some reason it works tith the gnu toolchainj but always have this problem with gnu compilers but intel toolchain.</div><div class="">It seems like OMP_GET_NUM_THREADS()</div><div class="">always reports 1 thread though there are 4.</div><div class=""><br class=""></div><div class="">Ron</div><div class=""><br class=""></div><div class=""><br class=""></div><div class=""><br class=""></div><br class="">On Monday, April 8, 2019 at 5:38:41 PM UTC-4, Ronald Cohen wrote:<blockquote class="gmail_quote" style="margin:0;margin-left:0.8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="auto" class="">Thank you, but to be clear I am using gnu compilers, as called by the intel distribution, using the intel tool chain with GNU=1. I am properly sourcing the intel variable scripts and the correct compilers are being used. Still I get the reported error. Thanks,<div class=""><br class=""></div><div class="">Ron <br class=""><br class=""><div dir="ltr" class="">Sent from my iPhone</div><div dir="ltr" class=""><br class="">On Apr 8, 2019, at 17:14, Mohammad Shakiba wrote:<br class=""><br class=""></div><blockquote type="cite" class=""><div dir="ltr" class=""><div dir="ltr" class=""><div class="">Dear Ronald,</div><div class=""><br class=""></div><div class="">I had problems with compiling CP2K with intel compilers too. I want to share my experience about compiling CP2K with intel. Some of them works properly and some not. The recommended versions are included in the following links:</div><div class=""><br class=""></div><div class=""><a href="https://www.cp2k.org/dev:compiler_support" rel="nofollow" target="_blank" class="">https://www.cp2k.org/dev:<wbr class="">compiler_support</a></div><div class=""><br class=""></div><div class=""><a href="https://xconfigure.readthedocs.io/en/latest/cp2k/" rel="nofollow" target="_blank" class="">https://xconfigure.<wbr class="">readthedocs.io/en/latest/cp2k/</a><br class=""></div><div class=""><br class=""></div><div class="">Use the links above which are good for compiling locally on clusters. First, you're gonna have to recompile libxsmm yourself in the $HOME directory (use the link in xconfigure and the rest). Then based on your CPU (type 'lscpu' to find out what kind of cpu you got, for example I have Xeon-E5-v4) you have to source to the intel compiler:</div><div class=""><br class=""></div><div class="">source /opt/intel/compilers_and_<wbr class="">libraries_yourversion/linux/<wbr class="">bin/compilervas.sh intel64</div><div class=""><br class=""></div><div class="">Always source to intel compiler like above before using CP2K. You can check that by typing for example 'mpirun --version'. Also, check if your CP2K version pass the regtests, for example it compiles with intel 17.0.1 but with wrong answers.</div><div class=""><br class=""></div><div class="">Hope you find it useful.<br class=""></div><div class=""><br class=""></div><div class=""><br class=""></div>On Monday, April 8, 2019 at 6:27:05 PM UTC+4:30, Ronald Cohen wrote:<blockquote class="gmail_quote" style="margin:0;margin-left:0.8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr" class="">I am trying to use the intel gnu toolchain on my KNL cluster using GNU, and it always faiuls for every version of the intel suite I can find with the following:<div class=""><br class=""></div><div class=""><br class=""></div><div class="">make ARCH=Linux-x86-64-intelx ELPAROOT=/home/rcohen/gnu/<wbr class="">gcc6.3/ AVX=3 OMP=1 GNU=1 MKL=2 MIC=1 VERSION=psmp<br class=""></div><div class=""><br class=""></div><div class=""><div class="">to1: fatal error: multiple prevailing defs for ?libxsmm_gemm_auto_prefetch_<wbr class="">default?</div><div class="">compilation terminated.</div><div class="">lto-wrapper: fatal error: gfortran returned 1 exit status</div><div class="">compilation terminated.</div><div class="">/usr/bin/ld: error: lto-wrapper failed</div><div class="">collect2: error: ld returned 1 exit status</div><div class="">/home/rcohen/CP2K/cp2k/obj/<wbr class="">Linux-x86-64-intelx/psmp/all.<wbr class="">dep:86: recipe for target '/home/rcohen/CP2K/cp2k/exe/<wbr class="">Linux-x86-64-intelx/graph.<wbr class="">psmp' failed</div><div class="">make[3]: *** [/home/rcohen/CP2K/cp2k/exe/<wbr class="">Linux-x86-64-intelx/graph.<wbr class="">psmp] Error 1</div><div class="">make[3]: *** Waiting for unfinished jobs....</div></div><div class=""><br class=""></div><div class=""><br class=""></div><div class="">I cannot find a fix for the "multiple prevaiing ..." or that anyone else has reported it. Any help is appreciated.</div><div class=""><br class=""></div><div class="">The gnu toolchain built find, but without elpa or mkl. I was trying to add in elpa and mkl.</div><div class=""><br class=""></div><div class="">Ron Cohen</div><div class=""><br class=""></div><div class=""><br class=""></div></div></blockquote></div><div class=""><br class="webkit-block-placeholder"></div> -- <br class=""> </div></blockquote></div></div></blockquote></div></blockquote></div><div class=""><br class="webkit-block-placeholder"></div> -- <br class=""> You received this message because you are subscribed to a topic in the Google Groups "cp2k" group.<br class=""> To unsubscribe from this topic, visit <a href="https://groups.google.com/d/topic/cp2k/jn5hKlRz86E/unsubscribe" class="">https://groups.google.com/d/topic/cp2k/jn5hKlRz86E/unsubscribe</a>.<br class=""> To unsubscribe from this group and all its topics, send an email to <a href="mailto:cp...@googlegroups.com" class="">cp...@googlegroups.com</a>.<br class=""> To post to this group, send email to <a href="mailto:cp...@googlegroups.com" class="">cp...@googlegroups.com</a>.<br class=""> Visit this group at <a href="https://groups.google.com/group/cp2k" class="">https://groups.google.com/group/cp2k</a>.<br class=""> To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/11a61660-05a2-43c0-9a49-a148054f590f%40googlegroups.com?utm_medium=email&utm_source=footer" class="">https://groups.google.com/d/msgid/cp2k/11a61660-05a2-43c0-9a49-a148054f590f%40googlegroups.com</a>.<br class=""> For more options, visit <a href="https://groups.google.com/d/optout" class="">https://groups.google.com/d/optout</a>.<br class=""> </div></blockquote></div><br class=""></div></body></html>