[CP2K-user] [CP2K:15090] 8.1 release installation error

[Luca]

Dear Matthias
thank you for your advice. I will try to update the gcc release. 
Best regards.
Luca  

On Wednesday, April 7, 2021 at 11:36:29 AM UTC+2 Matthias Krack wrote:

> Dear Luca
>
>  
>
> 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: “mpiicc –v” and “icc –v”?
>
> If that shows something like “icc version xx (gcc version 4.8.5 
> compatibility)” then the gcc compiler is probably too old. You may add 
> the “-gcc-name <path_to_newer_gcc_version>” flag to point to a newer gcc 
> version.
>
>  
>
> HTH
>
>  
>
> Matthias
>
>  
>
> *Von:* c... at googlegroups.com <c... at googlegroups.com> *Im Auftrag von *
> Luca
> *Gesendet:* Mittwoch, 7. April 2021 00:37
> *An:* cp2k <c... at googlegroups.com>
> *Betreff:* Re: [CP2K:15090] 8.1 release installation error
>
>  
>
> Dear Matthias 
>
> thank you for your answer. What I did is 
>
>  
>
> 1) set the intel environment with 
>
> *source /intel/compilers_and_libraries_2020.2.254/linux/bin/ifortvars.sh 
> -arch intel64 -platform linux*
>
> *source /intel/compilers_and_libraries_2020.2.254/linux/bin/iccvars.sh 
> -arch intel64 -platform linux*
>
> *source /intel/compilers_and_libraries_2020.2.254/linux/mkl/bin/mklvars.sh 
> intel64*
>
> *source 
> /intel/compilers_and_libraries_2020.2.254/linux/mpi/intel64/bin/mpivars.sh 
> intel64*
>
>  
>
> 2) Python3 is ~/LIBS/PYTHON/anaconda3/bin/python
>
>  
>
> 3) make -j8 ARCH=Linux-x86-64-intel-minimal VERSION=psmp 
>
> the arch file is the one you can find into the arch dir. (I did not modify 
> any line)
>
>  
>
> My OS is 
>
>  
>
> *NAME="CentOS Linux"*
>
> *VERSION="7 (Core)"*
>
> *ID="centos"*
>
> *ID_LIKE="rhel fedora"*
>
> *VERSION_ID="7"*
>
> *PRETTY_NAME="CentOS Linux 7 (Core)"*
>
> *ANSI_COLOR="0;31"*
>
> *CPE_NAME="cpe:/o:centos:centos:7"*
>
> *HOME_URL="https://www.centos.org/ <https://www.centos.org/>"*
>
> *BUG_REPORT_URL="https://bugs.centos.org/ <https://bugs.centos.org/>"*
>
>  
>
> I also tried with the intel 
> compiler intel2018/compilers_and_libraries_2018.5.274  and the compilation 
> always gets stuck at 
>
>  
>
> *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 *
>
> */home/ldau/CODES/INTEL/18/build/HUT/cp2k-8.1/src/grid/grid_replay.c(107): 
> error: expected an expression*
>
> *    for (int i = 0; i < 3; i++) {*
>
> *         ^*
>
>  
>
> */home/ldau/CODES/INTEL/18/build/HUT/cp2k-8.1/src/grid/grid_replay.c(107): 
> error: identifier "i" is undefined*
>
> *    for (int i = 0; i < 3; i++) {*
>
> *                    ^*
>
>  
>
> Best Regards
>
> Luca 
>
>  
>
>  
>
> On Tuesday, April 6, 2021 at 10:19:21 PM UTC+2 Matthias Krack wrote:
>
> Dear Luca
>
>  
>
> 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?
>
>  
>
> Best
>
>  
>
> Matthias
>
>  
>
> *Von:* c... at googlegroups.com <c... at googlegroups.com> *Im Auftrag von *
> Luca
> *Gesendet:* Dienstag, 6. April 2021 19:09
> *An:* cp2k <c... at googlegroups.com>
> *Betreff:* [CP2K:15088] 8.1 release installation error
>
>  
>
> Dear Developers
>
> I am trying to install the release 8.1 with intel compilers. 
> Unfortunately, I get the error 
>
>  
>
> cp2k-8.1/src/grid/grid_replay.c(107): error: expected an expression
>
>     for (int i = 0; i < 3; i++) {
>
>  
>
> I tested both the intel compilers 2018 and 2020 with the arch 
> file Linux-x86-64-intel-minimal.psmp    
>
>  
>
> Which way I can fix the issue?
>
> Best Regards.
>
> Luca 
>
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