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情况说明,系统,Ubuntu 20.04.3LTS ,采用在 Ubuntu 20.04 LTS 桌面系统 GNU 成功编译 CP2K-9.1 http://bbs.keinsci.com/forum.php ... 71&fromuid=7033,到安装预编译库一切正常,但是最后编译程序时提示:/share/app/gromacs_cp2k/cp2k-9.1/exts/dbcsr/src/base/dbcsr_machine.F:62:10:
USE libxsmm, ONLY: libxsmm_timer_tick, libxsmm_timer_duration
1
Fatal Error: Cannot read module file ‘libxsmm.mod’ opened at (1), because it was created by a different version of GNU Fortran
compilation terminated.
make[4]: *** [/share/app/gromacs_cp2k/cp2k-9.1/exts/build_dbcsr//Makefile:255: dbcsr_machine.o] Error 1
make[3]: *** [/share/app/gromacs_cp2k/cp2k-9.1/exts/build_dbcsr/Makefile:179: libdbcsr] Error 2
make[2]: *** [/share/app/gromacs_cp2k/cp2k-9.1/exts/Makefile.inc:38: dbcsr] Error 2
make[2]: *** Waiting for unfinished jobs....
make[1]: *** [/share/app/gromacs_cp2k/cp2k-9.1/Makefile:140: psmp] Error 2
make: *** [Makefile:135: all] Error 2
请问如何解决?
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