[CP2K-user] [CP2K:17853] confirmation of the cp2k installation

[Shivam Gupta]

Hi I have been following the below format as suggested but showing the 
error. Please help me out in installing cp2k.

*1. cp* *cp2k-2022.2/tools/toolchain/install/arch*   *cp2k-2022.2/arch*
*2.* *source /home/biomedical/cp2k-2022.2/tools/toolchain/install/setup *
*3. cd* *cp2k-2022.2*
*4.* *$ make -j 32 ARCH=local VERSION="ssmp sdbg psmp pdbg"   * but it 
shows the following errors while I have already exported the path 
*5.* *export PATH=${PATH}:/usr/bin/python3*

/usr/bin/env: ‘python3’: Not a directory
/usr/bin/env: ‘python3’: Not a directory
/usr/bin/env: ‘python3’: Not a directory
/usr/bin/env: ‘python3’: Not a directory
/usr/bin/env: ‘python3’: Not a directory
/usr/bin/env: ‘python3’: Not a directory
make -C /home/biomedical/cp2k-2022.2/exts/dbcsr -f 
/home/biomedical/cp2k-2022.2/exts/build_dbcsr/Makefile \
make -C /home/biomedical/cp2k-2022.2/exts/dbcsr -f 
/home/biomedical/cp2k-2022.2/exts/build_dbcsr/Makefile \
   ARCHFILE=/home/biomedical/cp2k-2022.2/arch/local.sdbg \
   ARCHFILE=/home/biomedical/cp2k-2022.2/arch/local.ssmp \
   LIBDIR=/home/biomedical/cp2k-2022.2/lib/local/sdbg/exts/dbcsr \
   LIBDIR=/home/biomedical/cp2k-2022.2/lib/local/ssmp/exts/dbcsr \
   OBJDIR=/home/biomedical/cp2k-2022.2/obj/local/sdbg/exts/dbcsr \
   OBJDIR=/home/biomedical/cp2k-2022.2/obj/local/ssmp/exts/dbcsr \
   USE_ACCEL="" \
   USE_ACCEL="" \
   ACC="" \
   ACC="" \
   ACCFLAGS=""
   ACCFLAGS=""
make -C /home/biomedical/cp2k-2022.2/exts/dbcsr -f 
/home/biomedical/cp2k-2022.2/exts/build_dbcsr/Makefile \
make -C /home/biomedical/cp2k-2022.2/exts/dbcsr -f 
/home/biomedical/cp2k-2022.2/exts/build_dbcsr/Makefile \
   ARCHFILE=/home/biomedical/cp2k-2022.2/arch/local.pdbg \
   ARCHFILE=/home/biomedical/cp2k-2022.2/arch/local.psmp \
   LIBDIR=/home/biomedical/cp2k-2022.2/lib/local/pdbg/exts/dbcsr \
   LIBDIR=/home/biomedical/cp2k-2022.2/lib/local/psmp/exts/dbcsr \
   OBJDIR=/home/biomedical/cp2k-2022.2/obj/local/pdbg/exts/dbcsr \
   OBJDIR=/home/biomedical/cp2k-2022.2/obj/local/psmp/exts/dbcsr \
   USE_ACCEL="" \
   USE_ACCEL="" \
   ACC="" \
   ACC="" \
   ACCFLAGS=""
   ACCFLAGS=""
Removing stale archives for ssmp ... 
Removing stale archives for sdbg ... 
/usr/bin/env: ‘python3’: Not a directory
make[2]: *** [/home/biomedical/cp2k-2022.2/Makefile:462: makedep] Error 126
make[2]: *** Waiting for unfinished jobs....
/usr/bin/env: ‘python3’: Not a directory
make[2]: *** [/home/biomedical/cp2k-2022.2/Makefile:462: makedep] Error 126
make[2]: *** Waiting for unfinished jobs....
Removing stale archives for psmp ... 
Removing stale archives for pdbg ... 
/usr/bin/env: ‘python3’: Not a directory
make[2]: *** [/home/biomedical/cp2k-2022.2/Makefile:462: makedep] Error 126
make[2]: *** Waiting for unfinished jobs....
/usr/bin/env: ‘python3’: Not a directory
make[2]: *** [/home/biomedical/cp2k-2022.2/Makefile:462: makedep] Error 126
make[2]: *** Waiting for unfinished jobs....
Removing stale archives ... 
Removing stale archives ... 
/usr/bin/env: ‘python3’: Not a directory
/usr/bin/env: ‘python3’: Not a directory
make[3]: *** [/home/biomedical/cp2k-2022.2/exts/build_dbcsr/Makefile:224: 
makedep] Error 126
make[3]: *** [/home/biomedical/cp2k-2022.2/exts/build_dbcsr/Makefile:224: 
makedep] Error 126
make[2]: *** [/home/biomedical/cp2k-2022.2/exts/Makefile.inc:38: dbcsr] 
Error 2
make[2]: *** [/home/biomedical/cp2k-2022.2/exts/Makefile.inc:38: dbcsr] 
Error 2
make[1]: *** [/home/biomedical/cp2k-2022.2/Makefile:125: ssmp] Error 2
make[1]: *** Waiting for unfinished jobs....
make[1]: *** [/home/biomedical/cp2k-2022.2/Makefile:125: sdbg] Error 2
Removing stale archives ... 
Removing stale archives ... 
/usr/bin/env: ‘python3’/usr/bin/env: ‘python3’: Not a directory
: Not a directory
make[3]: *** [/home/biomedical/cp2k-2022.2/exts/build_dbcsr/Makefile:224: 
makedep] Error 126
make[3]: *** [/home/biomedical/cp2k-2022.2/exts/build_dbcsr/Makefile:224: 
makedep] Error 126
make[2]: *** [/home/biomedical/cp2k-2022.2/exts/Makefile.inc:38: dbcsr] 
Error 2
make[2]: *** [/home/biomedical/cp2k-2022.2/exts/Makefile.inc:38: dbcsr] 
Error 2
make[1]: *** [/home/biomedical/cp2k-2022.2/Makefile:125: psmp] Error 2
make[1]: *** [/home/biomedical/cp2k-2022.2/Makefile:125: pdbg] Error 2
make: *** [Makefile:120: all] Error 2

On Wednesday, October 12, 2022 at 4:38:39 PM UTC+9 Matthias Krack wrote:

> Hi
>
>  
>
> You can copy the arch files from cp2k/tools/toolchain/install/arch 
> generated by the toolchain into the existing folder cp2k/arch. There 
> shouldn’t be conflicts. Then you have to run one of the make commands in 
> cp2k/ as suggested by the toolchain to compile/build a cp2k binary in 
> cp2k/exe/local.
>
>  
>
> HTH
>
>  
>
> Matthias
>
>  
>
> *From: *cp... at googlegroups.com <cp... at googlegroups.com> on behalf of 
> Shivam Gupta <shivam... at pharmafoods.co.jp>
> *Date: *Wednesday, 12 October 2022 at 03:41
> *To: *cp2k <cp... at googlegroups.com>
> *Subject: *[CP2K:17843] confirmation of the cp2k installation
>
> Hi All,
>
> I have used the latest *install_cp2k_toolchain.sh *downloaded from git-hub 
> repository 
> <https://github.com/cp2k/cp2k/blob/master/tools/toolchain/install_cp2k_toolchain.sh>
> . 
>
> upon completion of this script, I followed the following steps.
>
> 1. cp /home/biomedical/cp2k-2022.2/tools/toolchain/install/arch/*   
> /home/biomedical/cp2k-2022.2/arch/
>
>  
>
> 2. source /home/biomedical/cp2k-2022.2/tools/toolchain/install/setup
>
>  
>
> but I am able to confirm the installation of the cp2k. 
>
> How to do it?
>
>  
>
> --> query: For the first step, Do I need to create a new directory 
> *cp2k/arch/ *to copy all the arch files rather copying into already 
> existed arch folder?
>
>  
>
> Thanks
>
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