[CP2K-user] [CP2K:18564] installation issue using toolchain

[Krack Matthias]

Hi Tieyuan

Older versions of CP2K can be installed with the classic Intel compiler and the current CP2K trunk version works with the classic as well as the new oneAPI compilers. Check the CP2K dashboard<https://dashboard.cp2k.org/index.html> entries Linux-intel-x86_64.psmp (22.2)<https://dashboard.cp2k.org/archive/psi-intel222-psmp/index.html> and Intel oneAPI (psmp)<https://dashboard.cp2k.org/archive/intel-psmp/index.html>.
You can try for the current CP2K version 2023.1 the Intel arch file by running the following commands for installation (bash shell):


  *   git clone --recursive -b support/v2023.1 https://github.com/cp2k/cp2k.git cp2k
  *   cd cp2k
  *   source arch/Linux-intel-x86_64.psmp

assuming that the Intel compiler is installed and the corresponding environment and paths are set up properly.

HTH

Matthias

From: cp2k at googlegroups.com <cp2k at googlegroups.com> on behalf of Tieyuan Bian <biantieyuan at gmail.com>
Date: Tuesday, 21 March 2023 at 08:44
To: cp2k <cp2k at googlegroups.com>
Subject: [CP2K:18563] installation issue using toolchain
Dear all,

I tried to install cp2k-v9.1 on my cluster. However, when I run toolchain, at the stage of installing COSMA, it showed this error :
[cid:26fbc81c-39da-4394-957f-8a3a68887c38]
I also tried to drag the COSMA.tar.gz into the /install folder but this error still occured. I hope someone could help me.

Besides, my ifort version is 2021.6.0. Does this mean that I cannot install cp2k version of 2022.1 and 2023.1?
Sincerely,

Tieyuan BIAN
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