Dear Matthias<div>thank you for your advice. I will try to update the gcc release. </div><div>Best regards.</div><div>Luca  <br><br></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Wednesday, April 7, 2021 at 11:36:29 AM 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 lang="DE" 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">It seems that your cp2k installation stops with the compilation of the first C code file. It is possible that your Intel C compiler refers to a gcc compiler version
 which is too old like 4.x. Could you run after the setup of the Intel compiler environment: “</span><span style="font-size:11.0pt;font-family:Consolas;color:#1f497d">mpiicc –v</span><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d">”
 and “</span><span style="font-size:11.0pt;font-family:Consolas;color:#1f497d">icc –v</span><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">If that shows something like “</span><span style="font-size:11.0pt;font-family:Consolas;color:#1f497d">icc version xx (gcc version 4.8.5 compatibility)</span><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d">”
 then the gcc compiler is probably too old. You may add the “-g</span><span style="font-size:11.0pt;font-family:Consolas;color:#1f497d">cc-name <path_to_newer_gcc_version></span><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d">”
 flag to point to a newer gcc version.<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">HTH<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</span><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"><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> Mittwoch, 7. April 2021 00:37<br>
<b>An:</b> cp2k <<a href data-email-masked rel="nofollow">c...@googlegroups.com</a>><br>
<b>Betreff:</b> Re: [CP2K:15090] 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 Matthias <u></u><u></u></p>
<div>
<p class="MsoNormal">thank you for your answer. What I did is <u></u><u></u></p>
</div>
<div>
<p class="MsoNormal"><u></u> <u></u></p>
</div>
<div>
<p class="MsoNormal">1) set the intel environment with <u></u><u></u></p>
</div>
<div>
<div>
<p class="MsoNormal"><i>source /intel/compilers_and_libraries_2020.2.254/linux/bin/ifortvars.sh -arch intel64 -platform linux</i><u></u><u></u></p>
</div>
<div>
<p class="MsoNormal"><i>source /intel/compilers_and_libraries_2020.2.254/linux/bin/iccvars.sh -arch intel64 -platform linux</i><u></u><u></u></p>
</div>
<div>
<p class="MsoNormal"><i>source /intel/compilers_and_libraries_2020.2.254/linux/mkl/bin/mklvars.sh intel64</i><u></u><u></u></p>
</div>
<div>
<p class="MsoNormal"><i>source /intel/compilers_and_libraries_2020.2.254/linux/mpi/intel64/bin/mpivars.sh intel64</i><u></u><u></u></p>
</div>
<div>
<p class="MsoNormal"><u></u> <u></u></p>
</div>
<div>
<p class="MsoNormal">2) Python3 is ~/LIBS/PYTHON/anaconda3/bin/python<u></u><u></u></p>
</div>
<div>
<p class="MsoNormal"><u></u> <u></u></p>
</div>
<div>
<p class="MsoNormal">3) make -j8 ARCH=Linux-x86-64-intel-minimal VERSION=psmp <u></u><u></u></p>
</div>
<div>
<p class="MsoNormal">the arch file is the one you can find into the arch dir. (I did not modify any line)<u></u><u></u></p>
</div>
<div>
<p class="MsoNormal"><u></u> <u></u></p>
</div>
<div>
<p class="MsoNormal">My OS is <u></u><u></u></p>
</div>
<div>
<div>
<p class="MsoNormal"><u></u> <u></u></p>
</div>
<div>
<p class="MsoNormal"><i>NAME="CentOS Linux"</i><u></u><u></u></p>
</div>
<div>
<p class="MsoNormal"><i>VERSION="7 (Core)"</i><u></u><u></u></p>
</div>
<div>
<p class="MsoNormal"><i>ID="centos"</i><u></u><u></u></p>
</div>
<div>
<p class="MsoNormal"><i>ID_LIKE="rhel fedora"</i><u></u><u></u></p>
</div>
<div>
<p class="MsoNormal"><i>VERSION_ID="7"</i><u></u><u></u></p>
</div>
<div>
<p class="MsoNormal"><i>PRETTY_NAME="CentOS Linux 7 (Core)"</i><u></u><u></u></p>
</div>
<div>
<p class="MsoNormal"><i>ANSI_COLOR="0;31"</i><u></u><u></u></p>
</div>
<div>
<p class="MsoNormal"><i>CPE_NAME="cpe:/o:centos:centos:7"</i><u></u><u></u></p>
</div>
<div>
<p class="MsoNormal"><i>HOME_URL="<a href="https://www.centos.org/" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=en-US&q=https://www.centos.org/&source=gmail&ust=1617985321437000&usg=AFQjCNG2OHG0V5BqZGux9_l1Aug3IrSK4g">https://www.centos.org/</a>"</i><u></u><u></u></p>
</div>
<div>
<p class="MsoNormal"><i>BUG_REPORT_URL="<a href="https://bugs.centos.org/" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=en-US&q=https://bugs.centos.org/&source=gmail&ust=1617985321437000&usg=AFQjCNEk-cEw2fzk2OQjq0YT0F4CAIh5gA">https://bugs.centos.org/</a>"</i><u></u><u></u></p>
</div>
</div>
<div>
<p class="MsoNormal"><u></u> <u></u></p>
</div>
<div>
<p class="MsoNormal">I also tried with the intel compiler intel2018/compilers_and_libraries_2018.5.274  and the compilation always gets stuck at <u></u><u></u></p>
</div>
<div>
<p class="MsoNormal"><u></u> <u></u></p>
</div>
<div>
<div>
<p class="MsoNormal"><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><u></u><u></u></p>
</div>
<div>
<p class="MsoNormal"><i>/home/ldau/CODES/INTEL/18/build/HUT/cp2k-8.1/src/grid/grid_replay.c(107): error: expected an expression</i><u></u><u></u></p>
</div>
<div>
<p class="MsoNormal"><i>    for (int i = 0; i < 3; i++) {</i><u></u><u></u></p>
</div>
<div>
<p class="MsoNormal"><i>         ^</i><u></u><u></u></p>
</div>
<div>
<p class="MsoNormal"><u></u> <u></u></p>
</div>
<div>
<p class="MsoNormal"><i>/home/ldau/CODES/INTEL/18/build/HUT/cp2k-8.1/src/grid/grid_replay.c(107): error: identifier "i" is undefined</i><u></u><u></u></p>
</div>
<div>
<p class="MsoNormal"><i>    for (int i = 0; i < 3; i++) {</i><u></u><u></u></p>
</div>
<div>
<p class="MsoNormal"><i>                    ^</i><u></u><u></u></p>
</div>
<div>
<p class="MsoNormal"><u></u> <u></u></p>
</div>
</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>
<p class="MsoNormal"><u></u> <u></u></p>
</div>
<p class="MsoNormal"><u></u> <u></u></p>
</div>
<div>
<div>
<p class="MsoNormal">On Tuesday, April 6, 2021 at 10:19:21 PM UTC+2 Matthias Krack wrote:<u></u><u></u></p>
</div>
<blockquote style="border:none;border-left:solid #cccccc 1.0pt;padding:0cm 0cm 0cm 6.0pt;margin-left:4.8pt;margin-right:0cm">
<div>
<div>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d">Dear Luca</span><u></u><u></u></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d"> </span><u></u><u></u></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?</span><u></u><u></u></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d"> </span><u></u><u></u></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d">Best</span><u></u><u></u></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d"> </span><u></u><u></u></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d">Matthias</span><u></u><u></u></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d"> </span><u></u><u></u></p>
</div>
</div>
<div>
<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">
<span><a href data-email-masked rel="nofollow">c...@googlegroups.com</a></span> <<span><a href data-email-masked rel="nofollow">c...@googlegroups.com</a></span>>
<b>Im Auftrag von </b>Luca<br>
<b>Gesendet:</b> Dienstag, 6. April 2021 19:09<br>
<b>An:</b> cp2k <<span><a href data-email-masked rel="nofollow">c...@googlegroups.com</a></span>><br>
<b>Betreff:</b> [CP2K:15088] 8.1 release installation error</span><u></u><u></u></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>
<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
<span><a href data-email-masked rel="nofollow">cp...@googlegroups.com</a></span>.<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=1617985321437000&usg=AFQjCNEsIP4Rz_lk8jCYIJ0VbRioxjn-yQ">
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>
</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></p></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">
To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/8d71b7ac-d751-48df-b2bf-d2a99260940bn%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/8d71b7ac-d751-48df-b2bf-d2a99260940bn%2540googlegroups.com?utm_medium%3Demail%26utm_source%3Dfooter&source=gmail&ust=1617985321437000&usg=AFQjCNHohxZk2mUpgl1bhLkOrg4Pk4zpUw">
https://groups.google.com/d/msgid/cp2k/8d71b7ac-d751-48df-b2bf-d2a99260940bn%40googlegroups.com</a>.<u></u><u></u></p>
</div>
</div>
</div>

</blockquote></div>