| 查看: 1002 | 回复: 3 | |||
| 当前主题已经存档。 | |||
[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！ |
回复此楼» 猜你喜欢
26调剂 086003
已经有3人回复
-
265求调剂
已经有20人回复
-
271分求调剂学校
已经有11人回复
-
320分人工智能调剂
已经有6人回复
-
求调剂，一志愿南京航空航天大学 ，080500材料科学与工程学硕
已经有8人回复
-
280求调剂
已经有19人回复
-
求材料调剂，一志愿郑州大学289分
已经有15人回复
-
26考研调剂0710 0860
已经有6人回复
-
282求调剂
已经有22人回复
-
283求调剂
已经有5人回复
2楼2010-02-05 18:38:23
3楼2010-03-06 23:11:55
zbb1223
铁杆木虫 (小有名气)
- 应助: 1 (幼儿园)
- 贵宾: 0.1
- 金币: 5460.9
- 红花: 1
- 帖子: 295
- 在线: 168.4小时
- 虫号: 244702
- 注册: 2006-04-17
- 性别: GG
- 专业: 凝聚态物性 II ：电子结构
|
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
