请教各位大神Centos7.9安装cp2k8.2,elpa编译出问题

天然呆

[root@centos toolchain]# ./install_cp2k_toolchain.sh --with-sirius=no --with-mpich=install --with-cmake=install --with-ptscotch=install --with-pexsi=install --with-superlu=install --with-quip=install --with-plumed=install --with-libint=install --with-cosma=install
WARNING: (./install_cp2k_toolchain.sh, line 327) No MPI installation detected on your system. Ignore this message if you are using Cray Linux Environment
nvcc not found, disabling CUDA by default
Compiling with 8 processes.
==================== Finding GCC from system paths ====================
path to gcc is  /opt/rh/devtoolset-9/root/usr/bin/gcc
path to g++ is  /opt/rh/devtoolset-9/root/usr/bin/g++
path to gfortran is  /opt/rh/devtoolset-9/root/usr/bin/gfortran
Found include directory /usr/include
Found lib directory /usr/lib64
Step gcc took 0.00 seconds.
==================== Getting proc arch info using OpenBLAS tools ====================
OpenBLAS detected LIBCORE = unknown
OpenBLAS detected ARCH    = x86_64
==================== Installing CMake ====================
cmake-3.18.5 is already installed, skipping it.
Step cmake took 0.00 seconds.
==================== Installing MPICH ====================
mpich-3.3.2 is already installed, skipping it.
Step mpich took 0.00 seconds.
==================== Installing OpenBLAS ====================
openblas-0.3.10 is already installed, skipping it.
Step openblas took 0.00 seconds.
==================== Installing FFTW ====================
fftw-3.3.8 is already installed, skipping it.
Step fftw took 0.00 seconds.
==================== Installing LIBINT ====================
libint-2.6.0 is already installed, skipping it.
Step libint took 0.00 seconds.
==================== Installing LIBXC ====================
libxc-5.1.4 is already installed, skipping it.
Step libxc took 0.00 seconds.
Step libsmm took 0.00 seconds.
==================== Installing Libxsmm ====================
libxsmm-1.16.1 is already installed, skipping it.
Step libxsmm took 0.00 seconds.
==================== Installing ScaLAPACK ====================
scalapack-2.1.0 is already installed, skipping it.
Step scalapack took 0.00 seconds.
==================== Installing COSMA ====================
COSMA-2.5.0 is already installed, skipping it.
Step cosma took 0.00 seconds.
==================== Installing ELPA ====================
elpa-2020.11.001.tar.gz is found
patching file nvcc_wrap
Installing from scratch into /opt/cp2k-8.2/tools/toolchain/install/elpa-2020.11.001/cpu
ERROR: (./scripts/stage5/install_elpa.sh, line 110) Non-zero exit code detected.
[root@centos toolchain]# vim scripts/stage5/install_elpa.sh
打开查看，第110行如下图

。
本人计算小白，还请各位大神多多指教。

alonewolfyang

Sob老师安装的CP2K 8.1都已经在CentOS 8上编译了，你这8.2也该用CentOS 8或者CentOS Stream吧

biogon

先不编译elpa看看

天然呆

alonewolfyang 发表于 2021-7-31 21:33
Sob老师安装的CP2K 8.1都已经在CentOS 8上编译了，你这8.2也该用CentOS 8或者CentOS Stream吧

谢谢您的回复。就是参考着Sob老师和刘博的，还有Soul的帖子安装的，我这是在Vmware虚拟机中安装的，想先试一下，让后再往服务器上安装，服务器版本就是centos7.9的，安装了Ms，所以就没换Centos8

天然呆

biogon 发表于 2021-7-31 21:36
先不编译elpa看看

好的，我试试，谢谢您的回复

abin

现在流行语, 应该如此表述“官方预编译二进制版本又不是不能用”.

另, 如果是中国网络环境, 请先确保网络正常, 比如可以顺利访问github.
否则部分组件无法正常自动获取, 当然编译失败.

我的签名中有提到另外的解决方案, docker之类的.

alonewolfyang

天然呆 发表于 2021-7-31 21:48
谢谢您的回复。就是参考着Sob老师和刘博的，还有Soul的帖子安装的，我这是在Vmware虚拟机中安装的，想先 ...

我在论坛上看到过有人用7编译了8.2，可以仔细对照并排查；另外我的小服务器装了CentOS 7.2，安装了CP2K7.1，方法也是参考Sob老师和其他资源，这东西多试试问题就解决了

天然呆

abin 发表于 2021-7-31 23:36
现在流行语, 应该如此表述“官方预编译二进制版本又不是不能用”.

另, 如果是中国网络环境, 请先确保网 ...

感谢您的回复，网络是正常的。

天然呆

alonewolfyang 发表于 2021-8-1 08:19
我在论坛上看到过有人用7编译了8.2，可以仔细对照并排查；另外我的小服务器装了CentOS 7.2，安装了CP2K7. ...

感谢您的回复。作为计算小白，确实有很多坑，如果再出问题，我就尝试一下7.1吧。我是先在虚拟机上试水，没问题在往服务器上整。

abin

天然呆 发表于 2021-8-1 09:24
感谢您的回复，网络是正常的。

如果网络正常，
官方提供的脚本，直接运行，
等待几个小时，取决于网络速度和机器性能，
就会得到所有的toolchain。

官方的一手手册说明就很棒。
有些二手方案，可能有部分纰漏。

天然呆

abin 发表于 2021-8-1 09:35
如果网络正常，
官方提供的脚本，直接运行，
等待几个小时，取决于网络速度和机器性能，

嗯嗯，谢谢abin老师的指导