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vasp 5.4.1 安装报错 electron_lhf.F(35): error #7002: 已有4人参与
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mpif90 -free -names lowercase -assume byterecl -FR -heap-arrays -O1 -ip -I/home/py/fftw/include -c electron_lhf.f90 electron_lhf.F(35): error #7002: Error in opening the compiled module file. Check INCLUDE paths. USE choleski ------^ electron_lhf.F(73): error #6457: This derived type name has not been declared. [HAM_HANDLE] TYPE (ham_handle) HAMILTONIAN --------^ electron_lhf.F(74): error #6457: This derived type name has not been declared. [TAU_HANDLE] TYPE (tau_handle) KINEDEN --------^ electron_lhf.F(75): error #6457: This derived type name has not been declared. [TYPE_INFO] TYPE (type_info) T_INFO --------^ electron_lhf.F(76): error #6158: The structure-name is invalid or is missing. TYPE (potcar) P(T_INFO%NTYP) -----------------------^ electron_lhf.F(84): error #6457: This derived type name has not been declared. [DYNAMICS] TYPE (dynamics) DYN --------^ electron_lhf.F(85): error #6457: This derived type name has not been declared. [INFO_STRUCT] TYPE (info_struct) INFO --------^ electron_lhf.F(86): error #6457: This derived type name has not been declared. [IN_STRUCT] TYPE (in_struct) IO --------^ electron_lhf.F(87): error #6457: This derived type name has not been declared. [MIXING] TYPE (mixing) MIX --------^ electron_lhf.F(88): error #6457: This derived type name has not been declared. [KPOINTS_STRUCT] TYPE (kpoints_struct) KPOINTS --------^ electron_lhf.F(89): error #6457: This derived type name has not been declared. [SYMMETRY] TYPE (symmetry) SYMM --------^ electron_lhf.F(98): error #6457: This derived type name has not been declared. [ENERGY] TYPE (energy) E --------^ electron_lhf.F(108): error #6158: The structure-name is invalid or is missing. COMPLEX(q) CSTRF(GRIDC%MPLWV,T_INFO%NTYP)! structure factor --------------------------------^ electron_lhf.F(120): error #6457: This derived type name has not been declared. [GRIDQUANT] TYPE (GRIDQUANT) :: POT_EXX --------^ electron_lhf.F(130): error #6158: The structure-name is invalid or is missing. REAL(q) :: DESUM1,DESUM(INFO%NELM), EXHF_DUMMY --------------------------^ electron_lhf.F(12): error #6404: This name does not have a type, and must have an explicit type. [INFO] T_INFO,DYN,INFO,IO,MIX,KPOINTS,SYMM,GRID,GRID_SOFT, & ----------------^ electron_lhf.F(174): error #6460: This is not a field name that is defined in the encompassing structure. [LCORR] INFO%LCORR=.TRUE. -------^ electron_lhf.F(174): error #6303: The assignment operation or the binary expression operation is invalid for the data types of the two operands. INFO%LCORR=.TRUE. -------------^ electron_lhf.F(176): error #6460: This is not a field name that is defined in the encompassing structure. [NELM] NELM=INFO%NELM ------------^ electron_lhf.F(182): error #6404: This name does not have a type, and must have an explicit type. [IO] IF (IO%IU0>=0) WRITE(IO%IU0,142) ------^ electron_lhf.F(182): error #6460: This is not a field name that is defined in the encompassing structure. [IU0] IF (IO%IU0>=0) WRITE(IO%IU0,142) ---------^ electron_lhf.F(189): error #6460: This is not a field name that is defined in the encompassing structure. [LMIX] INFO%LMIX=.FALSE. -------^ electron_lhf.F(189): error #6303: The assignment operation or the binary expression operation is invalid for the data types of the two operands. INFO%LMIX=.FALSE. ------------^ electron_lhf.F(202): error #6404: This name does not have a type, and must have an explicit type. [POT_EXX] CALL ALLOCATE_GRID_QUANTITY(POT_EXX, GRID_SOFT, WDES%NCDIJ) ------------------------------^ electron_lhf.F(205): error #6404: This name does not have a type, and must have an explicit type. [MIX] MIX%MIXPRE=MOD(MIX%MIXPRE,10)+10 --^ electron_lhf.F(205): error #6460: This is not a field name that is defined in the encompassing structure. [MIXPRE] MIX%MIXPRE=MOD(MIX%MIXPRE,10)+10 ------^ electron_lhf.F(205): warning #7319: This argument's data type is incompatible with this intrinsic procedure; procedure assumed EXTERNAL. [MOD] MIX%MIXPRE=MOD(MIX%MIXPRE,10)+10 -----------------^ electron_lhf.F(205): error #6363: The intrinsic data types of the arguments must be the same. [MOD] MIX%MIXPRE=MOD(MIX%MIXPRE,10)+10 ----------------------------^ electron_lhf.f90(1077): catastrophic error: Too many errors, exiting compilation aborted for electron_lhf.f90 (code 1) make[2]: *** [electron_lhf.o] 错误 1 make[2]: Leaving directory `/home/py/下载/vasp/vasp.5.4.1/build/std' cp: 无法获取"vasp" 的文件状态(stat): 没有那个文件或目录 make[1]: *** [all] 错误 1 make[1]: Leaving directory `/home/py/下载/vasp/vasp.5.4.1/build/std' make: *** [std] 错误 2 报错情况如上。。本渣渣并非计算机专业。。不懂如何解决。。还请大师们指点。。谢谢。。 |
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