cp2k 8.1在centos7编译出错

taopan · 发表于 Post on 2021-5-13 19:27:16

在一开始编译的时候就出错了，openblas一直编译不过去，不知道什么原因？

==================== Getting proc arch info using OpenBLAS tools ====================
OpenBLAS-0.3.10.tar.gz is found
getarch_2nd.c: In function ‘main’:
getarch_2nd.c:14:35: error: ‘SGEMM_DEFAULT_UNROLL_M’ undeclared (first use in this function)
printf("SGEMM_UNROLL_M=%d\n", SGEMM_DEFAULT_UNROLL_M);
^
getarch_2nd.c:14:35: note: each undeclared identifier is reported only once for each function it appears in
getarch_2nd.c:15:35: error: ‘SGEMM_DEFAULT_UNROLL_N’ undeclared (first use in this function)
printf("SGEMM_UNROLL_N=%d\n", SGEMM_DEFAULT_UNROLL_N);
^
getarch_2nd.c:16:35: error: ‘DGEMM_DEFAULT_UNROLL_M’ undeclared (first use in this function)
printf("DGEMM_UNROLL_M=%d\n", DGEMM_DEFAULT_UNROLL_M);
^
getarch_2nd.c:17:35: error: ‘DGEMM_DEFAULT_UNROLL_N’ undeclared (first use in this function)
printf("DGEMM_UNROLL_N=%d\n", DGEMM_DEFAULT_UNROLL_N);
^
getarch_2nd.c:21:35: error: ‘CGEMM_DEFAULT_UNROLL_M’ undeclared (first use in this function)
printf("CGEMM_UNROLL_M=%d\n", CGEMM_DEFAULT_UNROLL_M);
^
getarch_2nd.c:22:35: error: ‘CGEMM_DEFAULT_UNROLL_N’ undeclared (first use in this function)
printf("CGEMM_UNROLL_N=%d\n", CGEMM_DEFAULT_UNROLL_N);
^
getarch_2nd.c:23:35: error: ‘ZGEMM_DEFAULT_UNROLL_M’ undeclared (first use in this function)
printf("ZGEMM_UNROLL_M=%d\n", ZGEMM_DEFAULT_UNROLL_M);
^
getarch_2nd.c:24:35: error: ‘ZGEMM_DEFAULT_UNROLL_N’ undeclared (first use in this function)
printf("ZGEMM_UNROLL_N=%d\n", ZGEMM_DEFAULT_UNROLL_N);
^
getarch_2nd.c:71:50: error: ‘SGEMM_DEFAULT_Q’ undeclared (first use in this function)
printf("#define SLOCAL_BUFFER_SIZE\t%ld\n", (SGEMM_DEFAULT_Q * SGEMM_DEFAULT_UNROLL_N * 4 * 1 * sizeof(float)));
^
getarch_2nd.c:72:50: error: ‘DGEMM_DEFAULT_Q’ undeclared (first use in this function)
printf("#define DLOCAL_BUFFER_SIZE\t%ld\n", (DGEMM_DEFAULT_Q * DGEMM_DEFAULT_UNROLL_N * 2 * 1 * sizeof(double)));
^
getarch_2nd.c:73:50: error: ‘CGEMM_DEFAULT_Q’ undeclared (first use in this function)
printf("#define CLOCAL_BUFFER_SIZE\t%ld\n", (CGEMM_DEFAULT_Q * CGEMM_DEFAULT_UNROLL_N * 4 * 2 * sizeof(float)));
^
getarch_2nd.c:74:50: error: ‘ZGEMM_DEFAULT_Q’ undeclared (first use in this function)
printf("#define ZLOCAL_BUFFER_SIZE\t%ld\n", (ZGEMM_DEFAULT_Q * ZGEMM_DEFAULT_UNROLL_N * 2 * 2 * sizeof(double)));
^
make: *** [getarch_2nd] Error 1
OpenBLAS detected LIBCORE = unknown
OpenBLAS detected ARCH = x86_64

复制代码

abin · 发表于 Post on 2021-5-13 19:45:03

啥处理器？

啥系统？

如果是intel skx处理器，系统不是很老，
我有优化编译好的支持avx512指令集的版本。

暂时不支持CentOS6以及更老的系统。

taopan · 发表于 Post on 2021-5-13 19:51:00

abin 发表于 2021-5-13 19:45
啥处理器？

啥系统？

虚拟机中装的centos7 intel i7

djjj148 · 发表于 Post on 2021-5-13 19:55:59

用intel mkl就可以，没有必要装openblas

abin · 发表于 Post on 2021-5-13 20:09:05

taopan 发表于 2021-5-13 19:51
虚拟机中装的centos7 intel i7

i7 应该是skx平台的。
我优化好的版本你用不了。

如果在使用官方toolchain脚本，请确保网络正常。
其他不懂。

taopan · 发表于 Post on 2021-5-13 20:11:58

djjj148 发表于 2021-5-13 19:55
用intel mkl就可以，没有必要装openblas

加了--with-openblas=no没用，还是会安装

kjlee · 发表于 Post on 2021-11-1 17:11:57

修改toolchain的install_cp2k_toolchain.sh，把openblas那段注释掉，就可以继续编译了，但接下来每次在github里下载东西都会报错，是网络的问题。解决方法是科学上网一下，但咋在服务器里科学上网，我也不清楚

。

taopan · 发表于 Post on 2021-11-5 19:38:57

kjlee 发表于 2021-11-1 17:11
修改toolchain的install_cp2k_toolchain.sh，把openblas那段注释掉，就可以继续编译了，但接下来每次在gith ...

emmm，服务器咋上网，太难了啊

喵星大佬 · 发表于 Post on 2021-11-6 02:34:35

去手动把东西下好扔进去啊

shuihua · 发表于 Post on 2022-3-20 20:55:07

taopan 发表于 2021-11-5 19:38
emmm，服务器咋上网，太难了啊

请问您解决了吗

snljty · 发表于 Post on 2022-3-20 21:07:57

shuihua 发表于 2022-3-20 20:55
请问您解决了吗

看提示，每次自动下载会有一个报错，找到里面的网址，找一台能上网的电脑下载下来，传到CP2K解压后的tools/toolchain/build里。有几个可能要改名，注意看报错的提示里面wget后面有没有-O参数。

chemistryMaga · 发表于 Post on 2024-2-1 23:05:08

出现相同的问题

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[CP2K] cp2k 8.1在centos7编译出错

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