Dear Matthias <div>thank you for your answer. What I did is </div><div><br></div><div>1) set the intel environment with </div><div><div><i>source /intel/compilers_and_libraries_2020.2.254/linux/bin/ifortvars.sh -arch intel64 -platform linux</i></div><div><i>source /intel/compilers_and_libraries_2020.2.254/linux/bin/iccvars.sh -arch intel64 -platform linux</i></div><div><i>source /intel/compilers_and_libraries_2020.2.254/linux/mkl/bin/mklvars.sh intel64</i></div><div><i>source /intel/compilers_and_libraries_2020.2.254/linux/mpi/intel64/bin/mpivars.sh intel64</i></div><div><br></div><div>2) Python3 is ~/LIBS/PYTHON/anaconda3/bin/python</div><div><br></div><div>3) make -j8 ARCH=Linux-x86-64-intel-minimal VERSION=psmp </div><div>the arch file is the one you can find into the arch dir. (I did not modify any line)</div><div><br></div><div>My OS is </div><div><div><br></div><div><i>NAME="CentOS Linux"</i></div><div><i>VERSION="7 (Core)"</i></div><div><i>ID="centos"</i></div><div><i>ID_LIKE="rhel fedora"</i></div><div><i>VERSION_ID="7"</i></div><div><i>PRETTY_NAME="CentOS Linux 7 (Core)"</i></div><div><i>ANSI_COLOR="0;31"</i></div><div><i>CPE_NAME="cpe:/o:centos:centos:7"</i></div><div><i>HOME_URL="https://www.centos.org/"</i></div><div><i>BUG_REPORT_URL="https://bugs.centos.org/"</i></div></div><div><br></div><div>I also tried with the intel compiler intel2018/compilers_and_libraries_2018.5.274 and the compilation always gets stuck at </div><div><br></div><div><div><i>mpiifort -c -O2 -g -qopenmp -traceback -xHost -D__FFTW3 -D__MAX_CONTR=4 -D__MKL -D__MPI_VERSION=3 -D__parallel -D__SCALAPACK -diag-disable=8291 -diag-disable=8293 -fpp -fp-model precise -free -funroll-loops -I/shared/Libs/intel2018/compilers_and_libraries_2018.5.274/linux/mkl/include -I/shared/Libs/intel2018/compilers_and_libraries_2018.5.274/linux/mkl/include/fftw -D__COMPILE_ARCH="\"Linux-x86-64-intel-minimal\"" -D__COMPILE_DATE="\"mar 6 apr 2021, 18.37.16, CEST\"" -D__COMPILE_HOST="\"ngrowth1\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/home/ldau/CODES/INTEL/18/build/HUT/cp2k-8.1/data\"" -D__SHORT_FILE__="\"common/kahan_sum.F\"" -I'/home/ldau/CODES/INTEL/18/build/HUT/cp2k-8.1/src/common/' -I'/home/ldau/CODES/INTEL/18/build/HUT/cp2k-8.1/obj/Linux-x86-64-intel-minimal/psmp/exts/dbcsr' kahan_sum.F90 </i></div><div><i>/home/ldau/CODES/INTEL/18/build/HUT/cp2k-8.1/src/grid/grid_replay.c(107): error: expected an expression</i></div><div><i> for (int i = 0; i < 3; i++) {</i></div><div><i> ^</i></div><div><i><br></i></div><div><i>/home/ldau/CODES/INTEL/18/build/HUT/cp2k-8.1/src/grid/grid_replay.c(107): error: identifier "i" is undefined</i></div><div><i> for (int i = 0; i < 3; i++) {</i></div><div><i> ^</i></div><div><br></div></div><div>Best Regards</div><div>Luca </div><div><br></div><br></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Tuesday, April 6, 2021 at 10:19:21 PM UTC+2 Matthias Krack wrote:<br/></div><blockquote class="gmail_quote" style="margin: 0 0 0 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;"> <div lang="EN-US" link="blue" vlink="purple"> <div> <p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d">Dear Luca<u></u><u></u></span></p> <p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d"><u></u> <u></u></span></p> <p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d">just with that information, it is difficult to guess what is causing the problem. I have not seen such error yet. Could you provide more information about your system and how you compiled cp2k 8.1?<u></u><u></u></span></p> <p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d"><u></u> <u></u></span></p> <p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d">Best<u></u><u></u></span></p> <p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d"><u></u> <u></u></span></p> <p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d">Matthias<u></u><u></u></span></p> <p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d"><u></u> <u></u></span></p> <div style="border:none;border-left:solid blue 1.5pt;padding:0cm 0cm 0cm 4.0pt"></div></div></div><div lang="EN-US" link="blue" vlink="purple"><div><div style="border:none;border-left:solid blue 1.5pt;padding:0cm 0cm 0cm 4.0pt"> <div> <div style="border:none;border-top:solid #e1e1e1 1.0pt;padding:3.0pt 0cm 0cm 0cm"> <p class="MsoNormal"><b><span lang="DE" style="font-size:11.0pt;font-family:"Calibri",sans-serif">Von:</span></b><span lang="DE" style="font-size:11.0pt;font-family:"Calibri",sans-serif"> <a href data-email-masked rel="nofollow">c...@googlegroups.com</a> <<a href data-email-masked rel="nofollow">c...@googlegroups.com</a>> <b>Im Auftrag von </b>Luca<br> <b>Gesendet:</b> Dienstag, 6. April 2021 19:09<br> <b>An:</b> cp2k <<a href data-email-masked rel="nofollow">c...@googlegroups.com</a>><br> <b>Betreff:</b> [CP2K:15088] 8.1 release installation error<u></u><u></u></span></p> </div> </div> <p class="MsoNormal"><u></u> <u></u></p> <p class="MsoNormal">Dear Developers<u></u><u></u></p> <div> <p class="MsoNormal">I am trying to install the release 8.1 with intel compilers. Unfortunately, I get the error <u></u><u></u></p> </div> <div> <div> <p class="MsoNormal"><u></u> <u></u></p> </div> <div> <p class="MsoNormal">cp2k-8.1/src/grid/grid_replay.c(107): error: expected an expression<u></u><u></u></p> </div> <div> <p class="MsoNormal"> for (int i = 0; i < 3; i++) {<u></u><u></u></p> </div> </div> <div> <p class="MsoNormal"><u></u> <u></u></p> </div> <div> <p class="MsoNormal">I tested both the intel compilers 2018 and 2020 with the arch file Linux-x86-64-intel-minimal.psmp <u></u><u></u></p> </div> <div> <p class="MsoNormal"><u></u> <u></u></p> </div> <div> <p class="MsoNormal">Which way I can fix the issue?<u></u><u></u></p> </div> <div> <p class="MsoNormal">Best Regards.<u></u><u></u></p> </div> <div> <p class="MsoNormal">Luca <u></u><u></u></p> </div> </div></div></div><div lang="EN-US" link="blue" vlink="purple"><div><div style="border:none;border-left:solid blue 1.5pt;padding:0cm 0cm 0cm 4.0pt"><p class="MsoNormal">-- <br> You received this message because you are subscribed to the Google Groups "cp2k" group.<br> To unsubscribe from this group and stop receiving emails from it, send an email to <a href data-email-masked rel="nofollow">cp...@googlegroups.com</a>.<br> To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/11df7c90-3b52-4051-9469-85d5f76ff1a4n%40googlegroups.com?utm_medium=email&utm_source=footer" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=en-US&q=https://groups.google.com/d/msgid/cp2k/11df7c90-3b52-4051-9469-85d5f76ff1a4n%2540googlegroups.com?utm_medium%3Demail%26utm_source%3Dfooter&source=gmail&ust=1617833995082000&usg=AFQjCNE2hBviNzslTLbDsP5ceA2XpkvKEA"> https://groups.google.com/d/msgid/cp2k/11df7c90-3b52-4051-9469-85d5f76ff1a4n%40googlegroups.com</a>.<u></u><u></u></p> </div> </div> </div> </blockquote></div>