[CP2K-user] [CP2K:15088] 8.1 release installation error

[Luca]

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/"*
*BUG_REPORT_URL="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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