[交流] 【求助】读文本数据出现段错误[fortran] 已有2人参与

Originally posted by whl2dxl at 2011-04-24 01:09:04:
您好，你的这几行是给变量付初值吗？
pos1=1
pos2=1
ala=1
如果是的话，这个程序就有点问题了
因为上面几个变量你定义的都是数组，要给数组付初值的话，就要把所有的都付一遍 ，  例如：
do  i=1,256
do   ...

Originally posted by snoopyzhao at 2011-04-24 11:08:37:
能不能贴一个不带表情的代码，根本就看不出来原来是咋写的……

program main
implicit none
real a,b,c,a1,b1,c1,alpha,beta,gamma
character(len=10) today,now
integer i,j
character ele(768)
real pos1(256,3)
real pos2(256,3)
real ala(256,3)
character(len=20) rub1,rub2,rub3,rub4
pos1=1
pos2=1
ala=1


open(17,file='inname.dat')
read(17,"(A6,3(3XF6.3),3(2XF5.2),A16)"rub1,a1,b1,c1,alpha,beta,gamma,rub2

do i=1,768
read(17,"(A30,3(F8.3),A23,A1)"rub3,(pos1(i,j),j=1,3),rub4,ele(i)
ala(i,1)=pos1(i,1)/a1
ala(i,2)=pos1(i,2)/b1
ala(i,3)=pos1(i,3)/c1
end do
close(17)

open(23,file='OH_diople.car')
write(23,"(A17)""!BIOSYM archive 3"
write(23,"(A6)""PBC=ON"
write(23,"(A35)""Materials Studio Generated CAR File"

CALL DATE_AND_TIME(date=today,time=now)
write(23,"(A5,2XA8,2XA10)""!DATE",today,now

write(*,*)"Input the value of lattice parameters:"
write(*,*)"a="
read(*,*)a
write(*,*)"b="
read(*,*)b
write(*,*)"c="
read(*,*)c
write(23,"(A3,6(2XF8.4),1XA4)""PBC",a,b,c,alpha,beta,gamma,"(P1)"

do i=1,768
if(mod(i,3)/=0)then
pos2(i,1)=ala(i,1)*a
pos2(i,2)=ala(i,2)*b
pos2(i,3)=ala(i,3)*c
if(mod(i,2)/=0)then
write(23,"(A1,3(F15.9),1XA4,1XI1,7XA1,A1)"ele(i),pos2(i,j),"XXXX",1,ele(i),"+"
else
write(23,"(A1,3(F15.9),1XA4,1XI1,7XA1,A1)"ele(i),pos2(i,j),"XXXX",1,ele(i),"-"
end if
end if
end do
write(23,"(A3)""end"
write(23,"(A3)""end"
close(23)

stop

end program