Hi I have been following the below format as suggested but showing the error. Please help me out in installing cp2k.<div> 1. cp cp2k-2022.2/tools/toolchain/install/arch cp2k-2022.2/arch<div>2. source /home/biomedical/cp2k-2022.2/tools/toolchain/install/setup </div><div>3. cd cp2k-2022.2</div><div>4. $ make -j 32 ARCH=local VERSION="ssmp sdbg psmp pdbg" but it shows the following errors while I have already exported the path </div><div>5. export PATH=${PATH}:/usr/bin/python3</div><div> </div><div>/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 </div></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Wednesday, October 12, 2022 at 4:38:39 PM UTC+9 Matthias Krack wrote: </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-CH" link="blue" vlink="purple" style="word-wrap:break-word"> <div> 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</div></div><div lang="en-CH" link="blue" vlink="purple" style="word-wrap:break-word"><div> <div style="border:none;border-top:solid #b5c4df 1.0pt;padding:3.0pt 0cm 0cm 0cm"> From: <a href data-email-masked rel="nofollow">cp...@googlegroups.com</a> <<a href data-email-masked rel="nofollow">cp...@googlegroups.com</a>> on behalf of Shivam Gupta <<a href data-email-masked rel="nofollow">shivam...@pharmafoods.co.jp</a>> Date: Wednesday, 12 October 2022 at 03:41 To: cp2k <<a href data-email-masked rel="nofollow">cp...@googlegroups.com</a>> Subject: [CP2K:17843] confirmation of the cp2k installation </div> Hi All, <div> I have used the latest install_cp2k_toolchain.sh downloaded from <a href="https://github.com/cp2k/cp2k/blob/master/tools/toolchain/install_cp2k_toolchain.sh" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=en&q=https://github.com/cp2k/cp2k/blob/master/tools/toolchain/install_cp2k_toolchain.sh&source=gmail&ust=1665728598640000&usg=AOvVaw2V9fnidmsZDYmh2OTF5MhQ">git-hub repository</a>. </div> <div> upon completion of this script, I followed the following steps. </div> <div> 1. cp /home/biomedical/cp2k-2022.2/tools/toolchain/install/arch/* /home/biomedical/cp2k-2022.2/arch/ </div> <div> </div> <div> 2. source /home/biomedical/cp2k-2022.2/tools/toolchain/install/setup </div> <div> </div> <div> but I am able to confirm the installation of the cp2k. </div> <div> How to do it? </div> <div> </div> <div> --> 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? </div> <div> </div> <div> Thanks </div> </div></div><div lang="en-CH" link="blue" vlink="purple" style="word-wrap:break-word"><div>-- You received this message because you are subscribed to the Google Groups "cp2k" group. 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