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标题: 求助，按照http://sobereva.com/586中2.2，2.3步骤编译过程遇到问题 [打印本页]

作者
Author: 辣辣辣 时间: 2025-2-15 13:34
标题: 求助，按照http://sobereva.com/586中2.2，2.3步骤编译过程遇到问题
本帖最后由辣辣辣于 2025-2-16 09:16 编辑

在WIN11的WSL2里的Rocky Linux9系统中编译CP2K时，输入： make -j 16 ARCH=local VERSION="ssmp sdbg psmp pdbg"
报错如下：
Discovering programs ...
make -C /home/first/cp2k-2025.1/exts/dbcsr -f /home/first/cp2k-2025.1/exts/build_dbcsr/Makefile \
ARCHFILE=/home/first/cp2k-2025.1/arch/local.sdbg \
LIBDIR=/home/first/cp2k-2025.1/lib/local/sdbg/exts/dbcsr \
OBJDIR=/home/first/cp2k-2025.1/obj/local/sdbg/exts/dbcsr \
USE_ACCEL="" \
ACC="" \
ACCFLAGS=""
make -C /home/first/cp2k-2025.1/exts/dbcsr -f /home/first/cp2k-2025.1/exts/build_dbcsr/Makefile \
ARCHFILE=/home/first/cp2k-2025.1/arch/local.ssmp \
LIBDIR=/home/first/cp2k-2025.1/lib/local/ssmp/exts/dbcsr \
OBJDIR=/home/first/cp2k-2025.1/obj/local/ssmp/exts/dbcsr \
USE_ACCEL="" \
ACC="" \
ACCFLAGS=""
make -C /home/first/cp2k-2025.1/exts/dbcsr -f /home/first/cp2k-2025.1/exts/build_dbcsr/Makefile \
ARCHFILE=/home/first/cp2k-2025.1/arch/local.pdbg \
LIBDIR=/home/first/cp2k-2025.1/lib/local/pdbg/exts/dbcsr \
OBJDIR=/home/first/cp2k-2025.1/obj/local/pdbg/exts/dbcsr \
USE_ACCEL="" \
ACC="" \
ACCFLAGS=""
make -C /home/first/cp2k-2025.1/exts/dbcsr -f /home/first/cp2k-2025.1/exts/build_dbcsr/Makefile \
ARCHFILE=/home/first/cp2k-2025.1/arch/local.psmp \
LIBDIR=/home/first/cp2k-2025.1/lib/local/psmp/exts/dbcsr \
OBJDIR=/home/first/cp2k-2025.1/obj/local/psmp/exts/dbcsr \
USE_ACCEL="" \
ACC="" \
ACCFLAGS=""
Removing stale archives for sdbg ...
Removing stale archives for ssmp ...
Removing stale archives for pdbg ...
Removing stale archives for psmp ...
Removing stale archives ...
Removing stale archives ...
Removing stale archives ...
Removing stale archives ...
Resolving dependencies for pdbg ...
Resolving dependencies for psmp ...
Resolving dependencies for ssmp ...
Resolving dependencies for sdbg ...
Resolving dependencies ...
Resolving dependencies ...
Resolving dependencies ...
Resolving dependencies ...
/home/first/cp2k-2025.1/exts/build_dbcsr//Makefile:198: *** No FYPP submodule available, please read README.md on how to properly download DBCSR.  Stop.
/home/first/cp2k-2025.1/exts/build_dbcsr//Makefile:198: *** No FYPP submodule available, please read README.md on how to properly download DBCSR.  Stop.
/home/first/cp2k-2025.1/exts/build_dbcsr//Makefile:198: *** No FYPP submodule available, please read README.md on how to properly download DBCSR.  Stop.
make[3]: *** [/home/first/cp2k-2025.1/exts/build_dbcsr/Makefile:187: libdbcsr] Error 2
make[3]: *** [/home/first/cp2k-2025.1/exts/build_dbcsr/Makefile:187: libdbcsr] Error 2
make[3]: *** [/home/first/cp2k-2025.1/exts/build_dbcsr/Makefile:187: libdbcsr] Error 2
make[2]: *** [/home/first/cp2k-2025.1/exts/Makefile.inc:38: dbcsr] Error 2
make[2]: *** Waiting for unfinished jobs....
make[2]: *** [/home/first/cp2k-2025.1/exts/Makefile.inc:38: dbcsr] Error 2
make[2]: *** [/home/first/cp2k-2025.1/exts/Makefile.inc:38: dbcsr] Error 2
make[2]: *** Waiting for unfinished jobs....
make[2]: *** Waiting for unfinished jobs....
/home/first/cp2k-2025.1/exts/build_dbcsr//Makefile:198: *** No FYPP submodule available, please read README.md on how to properly download DBCSR.  Stop.
make[3]: *** [/home/first/cp2k-2025.1/exts/build_dbcsr/Makefile:187: libdbcsr] Error 2
make[2]: *** [/home/first/cp2k-2025.1/exts/Makefile.inc:38: dbcsr] Error 2
make[2]: *** Waiting for unfinished jobs....
make[1]: *** [/home/first/cp2k-2025.1/Makefile:128: ssmp] Error 2
make[1]: *** Waiting for unfinished jobs....
make[1]: *** [/home/first/cp2k-2025.1/Makefile:128: psmp] Error 2
make[1]: *** [/home/first/cp2k-2025.1/Makefile:128: pdbg] Error 2
make[1]: *** [/home/first/cp2k-2025.1/Makefile:128: sdbg] Error 2
make: *** [Makefile:123: all] Error 2

对此我在/home/first/cp2k-2025.1/exts/build_dbcsr//Makefile中检查了，发现FYPPEXE    := $(TOOLSDIR)/build_utils/fypp/bin/fypp
这也没有问题呀。对应FYPPEXE=/home/first/cp2k-2025.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp位置是有fypp文件的啊

# /home/first/cp2k-2025.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp --version
-bash: /home/first/cp2k-2025.1/exts/dbcsr/tools/build_utils/fypp/bin/fypp: No such file or directory
明明这个位置是一个113KB的fypp文件呀

# cd /home/first/cp2k-2025.1/exts/dbcsr/tools/build_utils/fypp/bin/
# ls
fypp.txt

经查询操作系统中也有FYPP文件，linux中全部FYPP删除后，使用PIP下载FYPP，fypp --vision有信息，/home/first/cp2k-2025.1/exts/build_dbcsr//Makefile对应地址修改，依然出现此问题.

作者
Author: 辣辣辣 时间: 2025-2-15 14:56
本帖最后由辣辣辣于 2025-2-16 09:22 编辑

已删贴

作者
Author: 辣辣辣 时间: 2025-2-15 14:58
本帖最后由辣辣辣于 2025-2-16 09:21 编辑

已删贴

作者
Author: sobereva 时间: 2025-2-16 00:00
有别人回复之前若需要对帖子进行修改、补充，应直接编辑原帖，不要通过回帖进行补充，这点在置顶的新社员必读贴里明确说了。

仔细看此文，把编译细节、环境详细交代清楚
在网上求助计算化学问题的时候必须把问题描述得详细、具体、准确、清楚
http://sobereva.com/620（http://bbs.keinsci.com/thread-25787-1-1.html）

确保机子通internet、操作系统合适、严格按《CP2K第一性原理程序在Linux中的安装方法》（http://sobereva.com/586）博文的命令编译而没有自由发挥

作者
Author: 辣辣辣 时间: 2025-2-16 09:22

sobereva 发表于 2025-2-16 00:00
有别人回复之前若需要对帖子进行修改、补充，应直接编辑原帖，不要通过回帖进行补充，这点在置顶的新社员必 ...

感谢社长提醒，已改正

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