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本帖最后由 RTChou 于 2025-3-19 16:14 编辑
系统WSL2-Ubuntu 24.04, OpenMPI自行编译4.1.6, 使用命令
./install_cp2k_toolchain.sh --with-mkl=system --with-gcc=system --with-openmpi=system --with-ninja=system --with-libxc=system --with-libint=system --with-libxsmm=system --with-gsl=system --with-spglib=system --with-hdf5=system --with-spfft=system --with-elpa=no --with-sirius=no --with-cmake=system
之后复制arch，source setup文件，在make 一步（make -j 32 ARCH=local VERSION="ssmp psmp"
）出现以下报错：
Discovering programs ...
/home/rtchou/cp2k-2025.1/arch/local.ssmp:13: *** missing separator. Stop.
make[1]: *** [/home/rtchou/cp2k-2025.1/Makefile:128: ssmp] Error 2
make[1]: *** Waiting for unfinished jobs....
/home/rtchou/cp2k-2025.1/arch/local.psmp:13: *** missing separator. Stop.
make[1]: *** [/home/rtchou/cp2k-2025.1/Makefile:128: psmp] Error 2
make: *** [Makefile:123: all] Error 2
请问该如何解决？
local.psmp
(3.61 KB, 下载次数 Times of downloads: 1)
local.ssmp
(3.2 KB, 下载次数 Times of downloads: 1)
更新：
重装cp2k无果数次后，我将anaconda3删除并重装cp2k，问题解决
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发表于 Post on 2025-3-19 12:03:36
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