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林子6682

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[交流] 【求助】vasp安装出错，请帮忙！！

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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1楼 2009-12-17 22:54:57

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Originally posted by 林子6682 at 2009-12-17 22:54:57:
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 ...

楼主，我也要安装vasp，一样的问题多多，我们可以联系一下吗？