<html xmlns:o="urn:schemas-microsoft-com:office:office" xmlns:w="urn:schemas-microsoft-com:office:word" xmlns:m="http://schemas.microsoft.com/office/2004/12/omml" xmlns="http://www.w3.org/TR/REC-html40"> <head> <meta http-equiv="Content-Type" content="text/html; charset=Windows-1252"> <meta name="Generator" content="Microsoft Word 15 (filtered medium)"> <style></style> </head> <body lang="en-CH" link="blue" vlink="purple" style="word-wrap:break-word"> <div class="WordSection1"> The export PATH in step 5 does not make sense, because it is not a folder as reported in the error message. Drop step 5.<o:p></o:p> <o:p> </o:p> <div style="border:none;border-top:solid #B5C4DF 1.0pt;padding:3.0pt 0cm 0cm 0cm"> From: cp2k@googlegroups.com <cp2k@googlegroups.com> on behalf of Shivam Gupta <shivam-gupta@pharmafoods.co.jp> Date: Thursday, 13 October 2022 at 08:33 To: cp2k <cp2k@googlegroups.com> Subject: Re: [CP2K:17853] confirmation of the cp2k installation<o:p></o:p> </div> Hi I have been following the below format as suggested but showing the error. Please help me out in installing cp2k.<o:p></o:p> <div> 1. cp cp2k-2022.2/tools/toolchain/install/arch cp2k-2022.2/arch<o:p></o:p> <div> 2. source /home/biomedical/cp2k-2022.2/tools/toolchain/install/setup <o:p></o:p> </div> <div> 3. cd cp2k-2022.2<o:p></o:p> </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 <o:p></o:p> </div> <div> 5. export PATH=${PATH}:/usr/bin/python3<o:p></o:p> </div> <div> <o:p> </o:p> </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<o:p></o:p> </div> </div> <div> <div> On Wednesday, October 12, 2022 at 4:38:39 PM UTC+9 Matthias Krack wrote:<o:p></o:p> </div> <blockquote style="border:none;border-left:solid #CCCCCC 1.0pt;padding:0cm 0cm 0cm 6.0pt;margin-left:4.8pt;margin-top:5.0pt;margin-right:0cm;margin-bottom:5.0pt"> <div> <div> Hi<o:p></o:p> <o:p></o:p> 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.<o:p></o:p> <o:p></o:p> HTH<o:p></o:p> <o:p></o:p> Matthias<o:p></o:p> </div> </div> <div> <div> <o:p></o:p> <div style="border:none;border-top:solid #B5C4DF 1.0pt;padding:3.0pt 0cm 0cm 0cm"> From: cp...@googlegroups.com <cp...@googlegroups.com> on behalf of Shivam Gupta <shivam...@pharmafoods.co.jp> Date: Wednesday, 12 October 2022 at 03:41 To: cp2k <cp...@googlegroups.com> Subject: [CP2K:17843] confirmation of the cp2k installation<o:p></o:p> </div> Hi All,<o:p></o:p> <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">git-hub repository</a>. <o:p></o:p> </div> <div> upon completion of this script, I followed the following steps.<o:p></o:p> </div> <div> 1. cp /home/biomedical/cp2k-2022.2/tools/toolchain/install/arch/* /home/biomedical/cp2k-2022.2/arch/<o:p></o:p> </div> <div> <o:p></o:p> </div> <div> 2. source /home/biomedical/cp2k-2022.2/tools/toolchain/install/setup<o:p></o:p> </div> <div> <o:p></o:p> </div> <div> but I am able to confirm the installation of the cp2k. <o:p></o:p> </div> <div> How to do it?<o:p></o:p> </div> <div> <o:p></o:p> </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?<o:p></o:p> </div> <div> <o:p></o:p> </div> <div> Thanks<o:p></o:p> </div> </div> </div> <div> <div> -- You received this message because you are subscribed to the Google Groups "cp2k" group. 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