Dear all;
I have written a simple program and called FFTW in it.
but I envisaged Segmentation Fault after "CALL dfftw_execute(plan)"
Is there anyone who can guide me where have I made a mistake?
------------------------
program test
implicit none
include "fftw3.f"
integer::u,jatom,nat,h,functn,pp,ind1,ind2,ind3,nx,ny,nz,counter
real::i,j,k,rx,ry,rz,originx,originy,originz,te,tee
real,allocatable::struct(:,:),tau(:,:),r0(:,:)
complex,dimension(100,100,100)::dat,der
INTEGER*8 plan
read(88,*)nat
allocate(struct(nat,6),tau(4,3),r0(nat,3))
do pp=1,4
read(55,*)(tau(pp,h),h=1,3)
end do
originx=tau(3,1)
originy=tau(3,2)
originz=tau(3,3)
do jatom=1,nat
r0(jatom,1)=tau(jatom,1)-originx
r0(jatom,2)=tau(jatom,2)-originy
r0(jatom,3)=tau(jatom,3)-originz
read(666,*)(struct(jatom,h),h=1,6)
end do
nx=100;ny=100;nz=100
counter=1
i=0;j=0;k=0
do ind1=1,nx
i=i+0.1065
do ind2=1,ny
j=j+0.1065
do ind3=1,nz
k=k+0.1065
rx=i-originx
ry=j-originy
rz=k-originz
u=0
do jatom=1,nat
tee=struct(jatom,4) !*0.529177249
te=sqrt((rx-r0(jatom,1))**2+(ry-r0(jatom,2))**2+(rz-
r0(jatom,3))**2)
if (te.GT.tee) u=u+1
end do
if (u==3)then
dat(ind1,ind2,ind3)=(1.0,0.0)
else
dat(ind1,ind2,ind3)=(0.0,0.0)
end if
write(36,*)dat(ind1,ind2,ind3)
counter=counter+1
end do
k=0
end do
j=0
end do
CALL
dfftw_plan_dft_3d(plan,nx,ny,nz,dat,der,FFTW_BACKWARD,FFTW_ESTIMATE)
print*,"111"
CALL dfftw_execute(plan)
print*,"222"
CALL dfftw_destroy_plan(plan)
print*,"END"
end program test
------------------------------------
the program can print "111" , but it isn't able to print "222".
I'm anxiously looking forward your reply and guidelines.
with best regards,
Fatemeh
|
