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【求助】vasp安装出错，请帮忙！！
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各位大哥！小弟我安装vasp的时候出错。 我用的编译器为intel 的ifort，数学库为mkl，我在编译vasp.4.lib的时候没有出现错误提示。而在编译vasp.4.6的时候，出现错误提示，如下： yhl@yhl-desktop:~/vasp/vasp.4.6$ make /opt/intel/Compiler/11.1/059/bin/ia32/ifort -FR -lowercase -O3 -xW -tpp7 -c xcgrad.f90 ifort: command line remark #10148: option '-tp' not supported xcgrad.f90(67): error #7013: This module file was not generated by any release of this compiler. [PREC] USE prec ----------^ xcgrad.f90(73): error #7013: This module file was not generated by any release of this compiler. [LATTICE] USE lattice ----------^ xcgrad.f90(77): error #6683: A kind type parameter must be a compile-time constant. [Q] IMPLICIT COMPLEX(q) (C) -----------------------^ xcgrad.f90(79): error #6683: A kind type parameter must be a compile-time constant. [Q] IMPLICIT REAL(q) (A-B,D-H,O-Z) --------------------^ xcgrad.f90(81): error #6457: This derived type name has not been declared. [GRID_3D] TYPE (grid_3d) GRIDC ------------^ xcgrad.f90(82): error #6457: This derived type name has not been declared. [LATT] TYPE (latt) LATT_CUR ------------^ xcgrad.f90(84): error #6683: A kind type parameter must be a compile-time constant. [Q] COMPLEX(q) CHTOT(GRIDC%MPLWV),CWORK(GRIDC%MPLWV) --------------^ xcgrad.f90(84): error #6158: The structure-name is invalid or is missing. COMPLEX(q) CHTOT(GRIDC%MPLWV),CWORK(GRIDC%MPLWV) ------------------------^ xcgrad.f90(84): error #6158: The structure-name is invalid or is missing. COMPLEX(q) CHTOT(GRIDC%MPLWV),CWORK(GRIDC%MPLWV) -------------------------------------------^ xcgrad.f90(85): error #6683: A kind type parameter must be a compile-time constant. [Q] REAL(q) DENCOR(GRIDC%RL%NP) -----------^ xcgrad.f90(85): error #6158: The structure-name is invalid or is missing. REAL(q) DENCOR(GRIDC%RL%NP) ---------------------------^ xcgrad.f90(86): error #6683: A kind type parameter must be a compile-time constant. [Q] REAL(q) XCSIF(3,3) -----------^ xcgrad.f90(88): error #6683: A kind type parameter must be a compile-time constant. [Q] COMPLEX(q),ALLOCATABLE:: CWGRAD(  --------------^ xcgrad.f90(89): error #6683: A kind type parameter must be a compile-time constant. [Q] REAL(q),ALLOCATABLE :: DWORKG( ,DWORK1(,DWORK2(,DWORK3(,DCHARG(-----------^ xcgrad.f90(91): error #6535: This variable or component must be of a derived or structure type [GRIDC] NP1=GRIDC%RL%NP ----------^ xcgrad.f90(91): error #6460: This is not a field name that is defined in the encompassing structure. [RL] NP1=GRIDC%RL%NP ----------------^ xcgrad.f90(91): error #6460: This is not a field name that is defined in the encompassing structure. [NP] NP1=GRIDC%RL%NP -------------------^ xcgrad.f90(92): error #6460: This is not a field name that is defined in the encompassing structure. [MPLWV] ALLOCATE(CWGRAD(GRIDC%MPLWV), & ----------------------------^ xcgrad.f90(92): error #6385: The highest data type rank permitted is INTEGER(KIND=8). [MPLWV] ALLOCATE(CWGRAD(GRIDC%MPLWV), & ----------------------------^ xcgrad.f90(110): error #7013: This module file was not generated by any release of this compiler. [PREC] USE prec ----------^ xcgrad.f90(117): error #6683: A kind type parameter must be a compile-time constant. [Q] IMPLICIT COMPLEX(q) (C) -----------------------^ xcgrad.f90(119): error #6683: A kind type parameter must be a compile-time constant. [Q] IMPLICIT REAL(q) (A-B,D-H,O-Z) --------------------^ xcgrad.f90(121): error #6457: This derived type name has not been declared. [GRID_3D] TYPE (grid_3d) GRIDC ------------^ xcgrad.f90(122): error #6457: This derived type name has not been declared. [LATT] TYPE (latt) LATT_CUR ------------^ xcgrad.f90(131): error #6683: A kind type parameter must be a compile-time constant. [Q] COMPLEX(q) CHTOT(GRIDC%MPLWV),CWGRAD(GRIDC%MPLWV),CWORK(GRIDC%MPLWV) --------------^ xcgrad.f90(131): error #6158: The structure-name is invalid or is missing. COMPLEX(q) CHTOT(GRIDC%MPLWV),CWGRAD(GRIDC%MPLWV),CWORK(GRIDC%MPLWV) -----------------------^ (415): catastrophic error: Too many errors, exiting compilation aborted for xcgrad.f90 (code 1) make: *** [xcgrad.o] 閿欒 请教各位大哥，究竟是哪个地方出错了？请指正谢谢！ |
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3楼2010-03-06 23:11:55
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建议用这个方法编译，我今天下午刚刚编译成功 http://muchong.com/bbs/viewthread.php?tid=1332100&fpage=1 注意，这个方法需要fftw，具体的步骤我在93楼的回帖中有说明 |
4楼2010-03-07 17:26:52
