求助在centos8内下载cp2k出错

han- · 发表于 Post on 2022-11-26 18:40:31

各位老师，我在centos8上安装cp2k 2022.2版本，在输入“./install_cp2k_toolchain.sh --with-sirius=no --with-openmpi=install --with-plumed=install”时显示：
WARNING: (./install_cp2k_toolchain.sh, line 332) No MPI installation detected (ignore this message in Cray Linux Environment or when MPI installation was requested).
Compiling with 4 processes.
==================== Finding GCC from system paths ====================
path to gcc is /usr/bin/gcc
ERROR: (./scripts/stage0/install_gcc.sh) Cannot find g++, please check if the package gcc is installed or in system search path
[root@localhost build]#

（可是这个新版本的不是自带适用的gcc吗？）

然后我下载了gcc后在激活时又显示：
[root@localhost gcc_install]# source ~/softwares/gcc9/env.sh
bash: /root/softwares/gcc9/env.sh: 没有那个文件或目录

（我看了路径是正确的，为什么一直显示没有文件呢？）
此时我按下面路径看了一下是有gcc的
ERROR: (./scripts/stage0/install_gcc.sh) Cannot find g++, please check if the package gcc is installed or in system search path
[root@localhost build]#

各位老师，我现在应该如何处理这个问题呢？

jim · 发表于 Post on 2023-8-1 09:16:25

highlight 发表于 2022-11-26 20:00
首先 ~/softwares/gcc9/env.sh 肯定是写教程的人自行安装后写的，你加载不到很正常
其次，提示的是你缺少 ...

按照您的提示，确实能启动安装gcc，没出现楼主提示的情况，但会出现一大堆类似这样的error：
getarch_2nd.c:22:35: error: ‘SGEMM_DEFAULT_UNROLL_M’ undeclared (first use in this function); did you mean ‘SBGEMM_DEFAULT_UNROLL_M’?
22 | printf("SGEMM_UNROLL_M=%d\n", SGEMM_DEFAULT_UNROLL_M);

han- · 发表于 Post on 2022-11-28 17:11:03

3969832 发表于 2022-11-28 12:11
感觉你啥都不懂建议你重装系统按照一个完整的教程从头到尾做你每次遇到错误自己不想直接到这儿问一次两 ...

好的谢谢您我重新装一下

han- · 发表于 Post on 2022-11-28 17:10:40

牧生发表于 2022-11-28 12:12
估计不少人都被这个问题搞得高血压了，这个问题循环了几天了
好好照着喂饭式的教程操作不好吗？？http://b ...

好的，谢谢您

han- · 发表于 Post on 2022-11-28 16:18:40

牧生发表于 2022-11-28 12:12
估计不少人都被这个问题搞得高血压了，这个问题循环了几天了
好好照着喂饭式的教程操作不好吗？？http://b ...

好的谢谢老师

han- · 发表于 Post on 2022-11-28 16:17:26

3969832 发表于 2022-11-28 12:11
感觉你啥都不懂建议你重装系统按照一个完整的教程从头到尾做你每次遇到错误自己不想直接到这儿问一次两 ...

好的老师我重装系统

牧生 · 发表于 Post on 2022-11-28 12:12:14

本帖最后由牧生于 2022-11-28 12:18 编辑

估计不少人都被这个问题搞得高血压了，这个问题循环了几天了
好好照着喂饭式的教程操作不好吗？？http://bbs.keinsci.com/thread-21608-1-1.html

如果你在安装centos时，选择了带GUI以后，不知道右边的部分选什么，那就无脑全部选上。

如果实在太菜了，看这个帖子，把网盘中的文件下回来，按照教程进行。已经足够足够傻瓜了，一键操作，根本不需要动脑。
http://bbs.keinsci.com/thread-33603-1-1.html

3969832 · 发表于 Post on 2022-11-28 12:11:45

感觉你啥都不懂建议你重装系统按照一个完整的教程从头到尾做你每次遇到错误自己不想直接到这儿问一次两次还行每个错误都直接复制过来没人会理你的

han- · 发表于 Post on 2022-11-28 11:33:54

sobereva 发表于 2022-11-28 10:14
目前没问题

==================== Installing ScaLAPACK ====================
scalapack-2.1.0.tgz: 成功
Checksum of scalapack-2.1.0.tgz Ok
Installing from scratch into /root/下载/cp2k-2022.2/cp2k-2022.2/tools/toolchain/install/scalapack-2.1.0
ERROR: (./scripts/stage4/install_scalapack.sh, line 51) Non-zero exit code detected.
老师，现在显示这个要怎么处理呀？

sobereva · 发表于 Post on 2022-11-28 10:14:16

han- 发表于 2022-11-28 09:58
老师这个中文目前还能改成英文吗？还是需要重新安装？
老师我输入了yum install make，目前显示如下 ...

目前没问题

han- · 发表于 Post on 2022-11-28 09:58:21

sobereva 发表于 2022-11-28 09:45
路径别有中文，自找麻烦
系统也别装成中文的。否则遇到报错提示都不好用google搜

老师这个中文目前还能改成英文吗？还是需要重新安装？
老师我输入了yum install make，目前显示如下是正确的吗？：
[root@localhost toolchain]# ./install_cp2k_toolchain.sh --with-sirius=no --with-openmpi=install
WARNING: (./install_cp2k_toolchain.sh, line 332) No MPI installation detected (ignore this message in Cray Linux Environment or when MPI installation was requested).
Compiling with 4 processes.
==================== Finding GCC from system paths ====================
path to gcc is /usr/bin/gcc
path to g++ is /usr/bin/g++
path to gfortran is /usr/bin/gfortran
Found include directory /usr/include
Found lib directory /usr/lib64
Step gcc took 0.00 seconds.
Step intel took 0.00 seconds.
==================== Getting proc arch info using OpenBLAS tools ====================
OpenBLAS detected LIBCORE = haswell
OpenBLAS detected ARCH = x86_64
==================== Installing CMake ====================
cmake-3.22.1-linux-x86_64.sh: 成功
Checksum of cmake-3.22.1-linux-x86_64.sh Ok
Installing from scratch into /root/下载/cp2k-2022.2/cp2k-2022.2/tools/toolchain/install/cmake-3.22.1
Step cmake took 14.00 seconds.
==================== Installing OpenMPI ====================
openmpi-4.1.1.tar.gz: 成功
Checksum of openmpi-4.1.1.tar.gz Ok
Installing from scratch into /root/下载/cp2k-2022.2/cp2k-2022.2/tools/toolchain/install/openmpi-4.1.1
Found directory /root/下载/cp2k-2022.2/cp2k-2022.2/tools/toolchain/install/openmpi-4.1.1/bin
Found directory /root/下载/cp2k-2022.2/cp2k-2022.2/tools/toolchain/install/openmpi-4.1.1/lib
Found directory /root/下载/cp2k-2022.2/cp2k-2022.2/tools/toolchain/install/openmpi-4.1.1/include
mpirun is installed as /root/下载/cp2k-2022.2/cp2k-2022.2/tools/toolchain/install/openmpi-4.1.1/bin/mpirun
mpicc is installed as /root/下载/cp2k-2022.2/cp2k-2022.2/tools/toolchain/install/openmpi-4.1.1/bin/mpicc
mpicxx is installed as /root/下载/cp2k-2022.2/cp2k-2022.2/tools/toolchain/install/openmpi-4.1.1/bin/mpicxx
mpif90 is installed as /root/下载/cp2k-2022.2/cp2k-2022.2/tools/toolchain/install/openmpi-4.1.1/bin/mpif90
Step openmpi took 506.00 seconds.
==================== Installing OpenBLAS ====================
OpenBLAS-0.3.20.tar.gz is found
Installing from scratch into /root/下载/cp2k-2022.2/cp2k-2022.2/tools/toolchain/install/openblas-0.3.20

sobereva · 发表于 Post on 2022-11-28 09:45:55

han- 发表于 2022-11-28 09:43
老师都安装了，然后：
[root@localhost toolchain]# ./install_cp2k_toolchain.sh --with-sirius=no -- ...

路径别有中文，自找麻烦
系统也别装成中文的。否则遇到报错提示都不好用google搜

yum install make

当初要是按我博文说的装系统，根本就不需要后来再自己装这些

（PS：常有人问我装CentOS 8的时候应该选什么，建议Base Environment选Workstation，组件选GNOME Applications、Legacy UNIX Compatibility、Development Tools、Scientific Support）

han- · 发表于 Post on 2022-11-28 09:43:28

sobereva 发表于 2022-11-28 09:33
yum install gcc-c++
另外，gfortran没装的话也用yum install gcc-gfortran装上

老师都安装了，然后：
[root@localhost toolchain]# ./install_cp2k_toolchain.sh --with-sirius=no --with-openmpi=install --with-plumed=install
WARNING: (./install_cp2k_toolchain.sh, line 332) No MPI installation detected (ignore this message in Cray Linux Environment or when MPI installation was requested).
Compiling with 4 processes.
==================== Finding GCC from system paths ====================
path to gcc is /usr/bin/gcc
path to g++ is /usr/bin/g++
path to gfortran is /usr/bin/gfortran
Found include directory /usr/include
Found lib directory /usr/lib64
Step gcc took 0.00 seconds.
Step intel took 0.00 seconds.
==================== Getting proc arch info using OpenBLAS tools ====================
/root/下载/cp2k-2022.2/cp2k-2022.2/tools/toolchain/scripts/get_openblas_arch.sh:行51: make: 未找到命令
ERROR: (/root/下载/cp2k-2022.2/cp2k-2022.2/tools/toolchain/scripts/get_openblas_arch.sh, line 51) Non-zero exit code detected.
ERROR: (./scripts/stage0/setup_buildtools.sh, line 44) Non-zero exit code detected.
这个如何处理呀老师

sobereva · 发表于 Post on 2022-11-28 09:33:25

han- 发表于 2022-11-28 09:14
老师，显示这个：
[root@localhost toolchain]# yum install gcc
上次元数据过期检查：1 day, 16:45:24 ...

yum install gcc-c++
另外，gfortran没装的话也用yum install gcc-gfortran装上

han- · 发表于 Post on 2022-11-28 09:26:55

乐平发表于 2022-11-26 19:58
仅仅是下载没用，你要先安装 gcc ，然后才能激活啊。

老师已经下载完了呀就是激活的时候显示没有文件

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[CP2K] 求助在centos8内下载cp2k出错

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[CP2K] 求助在centos8内下载cp2k出错