紧急求助，固定格式与自由格式的问题

lmbh2014 · 发表于 2014-10-9 15:14:22

分别采用NVT和NPT模拟出当T*=1.65时，LJ流体的状态方程并进行比较
用FORTRAN编写的时候总是有错误，恳请高手指教，非常感谢。

楚香饭 · 发表于 2014-10-9 15:30:57

请给出源码，错误提示

lmbh2014 · 发表于 2014-10-9 16:21:32

楚香饭发表于 2014-10-9 15:30
请给出源码，错误提示

谢谢您，代码说是超过1000字，回复不了。错误是：
--------------------Configuration: rty - Win32 Debug--------------------
Compiling Fortran...
F:\fortran programs\rty\agsdf.for
f90: Error: Illegal character in statement label field  [P]
f90: Error: Illegal character in statement label field  [R]
f90: Error: Illegal character in statement label field  [O]
f90: Error: Illegal character in statement label field  [G]
f90: Error: Illegal character in statement label field  [R]
f90: Error: First statement in file must not be continued
F:\fortran programs\rty\agsdf.for(1) : Error: Syntax error, found END-OF-STATEMENT when expecting one of: ( : % . = =>
PROGRAM MCNVT
-------------^
F:\fortran programs\rty\agsdf.for(357) : Error: Illegal character in statement label field  [=]
= '',F10.6)') FLP
---^
F:\fortran programs\rty\agsdf.for(357) : Error: Syntax error, found REAL_CONSTANT '.6' when expecting one of: ( * , ) + . - % . ** / // =
= '',F10.6)') FLP
-----------^
F:\fortran programs\rty\agsdf.for(84) : Error: Executable statements are invalid within the BLOCK DATA unit.
      WRITE(*,'(1H1,'' **** PROGRAM MCLJ ****                ''/)')
--------^
F:\fortran programs\rty\agsdf.for(76) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [TITLE]
      CHARACTER TITLE*80, CNFILE*30
--------------------^
F:\fortran programs\rty\agsdf.for(67) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [DRMAX]
      REAL       DRMAX, DENS, TEMP, DENSLJ, SIGMA, RMIN, RCUT, BETA
--------------------^
F:\fortran programs\rty\agsdf.for(67) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [DENS]
      REAL       DRMAX, DENS, TEMP, DENSLJ, SIGMA, RMIN, RCUT, BETA
---------------------------^
F:\fortran programs\rty\agsdf.for(67) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [TEMP]
      REAL       DRMAX, DENS, TEMP, DENSLJ, SIGMA, RMIN, RCUT, BETA
---------------------------------^
F:\fortran programs\rty\agsdf.for(67) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [DENSLJ]
      REAL       DRMAX, DENS, TEMP, DENSLJ, SIGMA, RMIN, RCUT, BETA
---------------------------------------^
F:\fortran programs\rty\agsdf.for(67) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [SIGMA]
      REAL       DRMAX, DENS, TEMP, DENSLJ, SIGMA, RMIN, RCUT, BETA
-----------------------------------------------^
F:\fortran programs\rty\agsdf.for(67) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [RMIN]
      REAL       DRMAX, DENS, TEMP, DENSLJ, SIGMA, RMIN, RCUT, BETA
------------------------------------------------------^
F:\fortran programs\rty\agsdf.for(67) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [RCUT]
      REAL       DRMAX, DENS, TEMP, DENSLJ, SIGMA, RMIN, RCUT, BETA
------------------------------------------------------------^
F:\fortran programs\rty\agsdf.for(67) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [BETA]
      REAL       DRMAX, DENS, TEMP, DENSLJ, SIGMA, RMIN, RCUT, BETA
------------------------------------------------------------------^
F:\fortran programs\rty\agsdf.for(68) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [DUMMY]
      REAL       RANF, DUMMY, ACM, ACATMA, PI, RATIO, SR9, SR3
--------------------------^
F:\fortran programs\rty\agsdf.for(68) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [ACM]
      REAL       RANF, DUMMY, ACM, ACATMA, PI, RATIO, SR9, SR3
---------------------------------^
F:\fortran programs\rty\agsdf.for(68) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [ACATMA]
      REAL       RANF, DUMMY, ACM, ACATMA, PI, RATIO, SR9, SR3
--------------------------------------^
F:\fortran programs\rty\agsdf.for(68) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [RATIO]
      REAL       RANF, DUMMY, ACM, ACATMA, PI, RATIO, SR9, SR3
--------------------------------------------------^
F:\fortran programs\rty\agsdf.for(68) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [SR9]
      REAL       RANF, DUMMY, ACM, ACATMA, PI, RATIO, SR9, SR3
---------------------------------------------------------^
F:\fortran programs\rty\agsdf.for(68) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [SR3]
      REAL       RANF, DUMMY, ACM, ACATMA, PI, RATIO, SR9, SR3
--------------------------------------------------------------^
F:\fortran programs\rty\agsdf.for(69) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [V]
      REAL       V, VNEW, VOLD, VEND, VN, DELTV, DELTVB, VS
--------------------^
F:\fortran programs\rty\agsdf.for(69) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [VNEW]
      REAL       V, VNEW, VOLD, VEND, VN, DELTV, DELTVB, VS
-----------------------^
F:\fortran programs\rty\agsdf.for(69) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [VOLD]
      REAL       V, VNEW, VOLD, VEND, VN, DELTV, DELTVB, VS
-----------------------------^
F:\fortran programs\rty\agsdf.for(69) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [VEND]
      REAL       V, VNEW, VOLD, VEND, VN, DELTV, DELTVB, VS
-----------------------------------^
F:\fortran programs\rty\agsdf.for(69) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [VN]
      REAL       V, VNEW, VOLD, VEND, VN, DELTV, DELTVB, VS
-----------------------------------------^
F:\fortran programs\rty\agsdf.for(69) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [DELTV]
      REAL       V, VNEW, VOLD, VEND, VN, DELTV, DELTVB, VS
---------------------------------------------^
F:\fortran programs\rty\agsdf.for(69) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [DELTVB]
      REAL       V, VNEW, VOLD, VEND, VN, DELTV, DELTVB, VS
----------------------------------------------------^
F:\fortran programs\rty\agsdf.for(69) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [VS]
      REAL       V, VNEW, VOLD, VEND, VN, DELTV, DELTVB, VS
------------------------------------------------------------^
F:\fortran programs\rty\agsdf.for(70) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [W]
      REAL       W, WEND, WNEW, WOLD, PRES, DELTW, WS, PS
--------------------^
F:\fortran programs\rty\agsdf.for(70) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [WEND]
      REAL       W, WEND, WNEW, WOLD, PRES, DELTW, WS, PS
-----------------------^
F:\fortran programs\rty\agsdf.for(70) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [WNEW]
      REAL       W, WEND, WNEW, WOLD, PRES, DELTW, WS, PS
-----------------------------^
F:\fortran programs\rty\agsdf.for(70) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [WOLD]
      REAL       W, WEND, WNEW, WOLD, PRES, DELTW, WS, PS
-----------------------------------^

lmbh2014 · 发表于 2014-10-9 16:21:49

楚香饭发表于 2014-10-9 15:30
请给出源码，错误提示

F:\fortran programs\rty\agsdf.for(70) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [PRES]
      REAL       W, WEND, WNEW, WOLD, PRES, DELTW, WS, PS
-----------------------------------------^
F:\fortran programs\rty\agsdf.for(70) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [DELTW]
      REAL       W, WEND, WNEW, WOLD, PRES, DELTW, WS, PS
-----------------------------------------------^
F:\fortran programs\rty\agsdf.for(70) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [WS]
      REAL       W, WEND, WNEW, WOLD, PRES, DELTW, WS, PS
------------------------------------------------------^
F:\fortran programs\rty\agsdf.for(70) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [PS]
      REAL       W, WEND, WNEW, WOLD, PRES, DELTW, WS, PS
----------------------------------------------------------^
F:\fortran programs\rty\agsdf.for(71) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [VLRC]
      REAL       VLRC, VLRC6, VLRC12, WLRC, WLRC6, WLRC12
--------------------^
F:\fortran programs\rty\agsdf.for(71) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [VLRC6]
      REAL       VLRC, VLRC6, VLRC12, WLRC, WLRC6, WLRC12
--------------------------^
F:\fortran programs\rty\agsdf.for(71) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [VLRC12]
      REAL       VLRC, VLRC6, VLRC12, WLRC, WLRC6, WLRC12
---------------------------------^
F:\fortran programs\rty\agsdf.for(71) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [WLRC]
      REAL       VLRC, VLRC6, VLRC12, WLRC, WLRC6, WLRC12
-----------------------------------------^
F:\fortran programs\rty\agsdf.for(71) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [WLRC6]
      REAL       VLRC, VLRC6, VLRC12, WLRC, WLRC6, WLRC12
-----------------------------------------------^
F:\fortran programs\rty\agsdf.for(71) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [WLRC12]
      REAL       VLRC, VLRC6, VLRC12, WLRC, WLRC6, WLRC12
------------------------------------------------------^
F:\fortran programs\rty\agsdf.for(72) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [RXIOLD]
      REAL       RXIOLD, RYIOLD, RZIOLD, RXINEW, RYINEW, RZINEW
--------------------^
F:\fortran programs\rty\agsdf.for(72) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [RYIOLD]
      REAL       RXIOLD, RYIOLD, RZIOLD, RXINEW, RYINEW, RZINEW
----------------------------^
F:\fortran programs\rty\agsdf.for(72) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [RZIOLD]
      REAL       RXIOLD, RYIOLD, RZIOLD, RXINEW, RYINEW, RZINEW
------------------------------------^
F:\fortran programs\rty\agsdf.for(72) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [RXINEW]
      REAL       RXIOLD, RYIOLD, RZIOLD, RXINEW, RYINEW, RZINEW
--------------------------------------------^
F:\fortran programs\rty\agsdf.for(72) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [RYINEW]
      REAL       RXIOLD, RYIOLD, RZIOLD, RXINEW, RYINEW, RZINEW
----------------------------------------------------^
F:\fortran programs\rty\agsdf.for(72) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [RZINEW]
      REAL       RXIOLD, RYIOLD, RZIOLD, RXINEW, RYINEW, RZINEW
------------------------------------------------------------^
F:\fortran programs\rty\agsdf.for(73) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [AVV]
      REAL       AVV, AVP, AVW, ACV, ACP, ACVSQ, ACPSQ, FLV, FLP
--------------------^
F:\fortran programs\rty\agsdf.for(73) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [AVP]
      REAL       AVV, AVP, AVW, ACV, ACP, ACVSQ, ACPSQ, FLV, FLP
-------------------------^
F:\fortran programs\rty\agsdf.for(73) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [AVW]
      REAL       AVV, AVP, AVW, ACV, ACP, ACVSQ, ACPSQ, FLV, FLP
------------------------------^
F:\fortran programs\rty\agsdf.for(73) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [ACV]
      REAL       AVV, AVP, AVW, ACV, ACP, ACVSQ, ACPSQ, FLV, FLP
-----------------------------------^
F:\fortran programs\rty\agsdf.for(73) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [ACP]
      REAL       AVV, AVP, AVW, ACV, ACP, ACVSQ, ACPSQ, FLV, FLP
----------------------------------------^
F:\fortran programs\rty\agsdf.for(73) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [ACVSQ]
      REAL       AVV, AVP, AVW, ACV, ACP, ACVSQ, ACPSQ, FLV, FLP
---------------------------------------------^
F:\fortran programs\rty\agsdf.for(73) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [ACPSQ]
      REAL       AVV, AVP, AVW, ACV, ACP, ACVSQ, ACPSQ, FLV, FLP
----------------------------------------------------^
F:\fortran programs\rty\agsdf.for(73) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [FLV]
      REAL       AVV, AVP, AVW, ACV, ACP, ACVSQ, ACPSQ, FLV, FLP
-----------------------------------------------------------^
F:\fortran programs\rty\agsdf.for(73) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [FLP]
      REAL       AVV, AVP, AVW, ACV, ACP, ACVSQ, ACPSQ, FLV, FLP
----------------------------------------------------------------^
F:\fortran programs\rty\agsdf.for(74) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [STEP]
      INTEGER    STEP, I, NSTEP, IPRINT, ISAVE, IRATIO
--------------------^
F:\fortran programs\rty\agsdf.for(74) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [I]
      INTEGER    STEP, I, NSTEP, IPRINT, ISAVE, IRATIO
--------------------------^
F:\fortran programs\rty\agsdf.for(74) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [NSTEP]
      INTEGER    STEP, I, NSTEP, IPRINT, ISAVE, IRATIO
-----------------------------^
F:\fortran programs\rty\agsdf.for(74) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [IPRINT]
      INTEGER    STEP, I, NSTEP, IPRINT, ISAVE, IRATIO
------------------------------------^
F:\fortran programs\rty\agsdf.for(74) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [ISAVE]
      INTEGER    STEP, I, NSTEP, IPRINT, ISAVE, IRATIO
--------------------------------------------^
F:\fortran programs\rty\agsdf.for(74) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [IRATIO]
      INTEGER    STEP, I, NSTEP, IPRINT, ISAVE, IRATIO
---------------------------------------------------^
F:\fortran programs\rty\agsdf.for(75) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [OVRLAP]
      LOGICAL    OVRLAP
--------------------^
F:\fortran programs\rty\agsdf.for(76) : Info: Symbol in BLOCK DATA program unit is not in a COMMON block. [CNFILE]
      CHARACTER TITLE*80, CNFILE*30
------------------------------^
Error executing df.exe.

rty.exe - 10 error(s), 0 warning(s)

fcode · 发表于 2014-10-9 16:27:26

看起来你的源代码是自由格式的。而你使用了固定格式的扩展名（for）试试改成 f90 扩展名。

如果还有问题，你可以上传源代码作为附件。

lmbh2014 · 发表于 2014-10-9 16:36:14

fcode 发表于 2014-10-9 16:27
看起来你的源代码是自由格式的。而你使用了固定格式的扩展名（for）试试改成 f90 扩展名。

如果还有问题 ...

请问f90的拓展名是什么？我们研一新开分子模拟课，不太明白。

fcode · 发表于 2014-10-9 16:39:20

你现在的文件名是 agsdf.for，改成 agsdf.f90 然后重新编译

lmbh2014 · 发表于 2014-10-9 17:48:32

fcode 发表于 2014-10-9 16:39
你现在的文件名是 agsdf.for，改成 agsdf.f90 然后重新编译

非常感谢。我输入了一个特别简单的程序，都有错误。代码：
   PROGRAM mc

   do icyc1=1,ncycl
      call mcmove
   if (mod(icyc1,nsamp).eq.0)
+  call sample
enddo
end

错误信息：--------------------Configuration: hai - Win32 Debug--------------------
Compiling Fortran...
F:\fortran programs\hai\ad.f90
F:\fortran programs\hai\ad.f90(6) : Error: Syntax error, found END-OF-STATEMENT when expecting one of: BLOCK BLOCKDATA PROGRAM TYPE COMPLEX BYTE CHARACTER DOUBLE DOUBLECOMPLEX ...
if (mod(icyc1,nsamp).eq.0)
------------------------------------^
F:\fortran programs\hai\ad.f90(7) : Error: Syntax error, found '+' when expecting one of: <LABEL> <END-OF-STATEMENT> ; BLOCK BLOCKDATA PROGRAM TYPE COMPLEX BYTE CHARACTER ...
+  call sample
--------^
Error executing df.exe.

hai.exe - 2 error(s), 0 warning(s)

楚香饭 · 发表于 2014-10-9 17:58:23

[Fortran] 纯文本查看 复制代码

PROGRAM mc
       do icyc1=1,ncycl
         call mcmove
           if (mod(icyc1,nsamp).eq.0) call sample  !// 写成一行既可
         enddo
         end

lmbh2014 · 发表于 2014-10-9 18:13:49

楚香饭发表于 2014-10-9 17:58
[mw_shl_code=fortran,true]PROGRAM mc
do icyc1=1,ncycl
call mcmove

请问这个是什么意思呢：--------------------Configuration: hahaha - Win32 Debug--------------------
Compiling Fortran...
F:\fortran programs\hahaha\haah.f90
F:\fortran programs\hahaha\haah.f90(2) : Warning: Variable NCYCL is used before its value has been defined
do icyc1=1,ncycl
------------------^
F:\fortran programs\hahaha\haah.f90(4) : Warning: Variable NSAMP is used before its value has been defined
if (mod(icyc1,nsamp).eq.0) call sample
-------------------------^
Linking...
haah.obj : error LNK2001: unresolved external symbol _MCMOVE@0
haah.obj : error LNK2001: unresolved external symbol _SAMPLE@0
Debug/hahaha.exe : fatal error LNK1120: 2 unresolved externals
Error executing link.exe.

hahaha.exe - 3 error(s), 2 warning(s)

[求助] 紧急求助，固定格式与自由格式的问题

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