StackOverflow2013

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POBig array problem
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copied!<p>I have a code that worked fine until now with 3 million atom-sized static arrays. For practical reasons, I have to go now to 10 million atom sized arrays. At first, my compiler did not allow me to do this, but I managed to find a way around with the following flags <code>ifort -mcmodel medium -shared-intel -traceback kubo.f</code>. It runs, but something very strange is happening. My matrix contains 11 609 198 elements. </p> <p>I check the value of my coordinates as follows (the value of 4 669 671 is the first time it goes wrong):</p> <blockquote> <p>print*, x(4669671),y(4669671),zcoord(4669671)</p> </blockquote> <p>followed by several lines where the value of x, y and zcoord is not changed or anything. Then, I enter a loop on these 3 vectors where the value of x, y and zcoord will be used but not changed. I print the 3 values again, and suddenly, the 3 values are changed?!</p> <p>Is there something I'm missing for large arrays?</p> <p>EDIT : Here the complete code (as I don't know what is a race condition, I don't know If I'm allowed to delete some parts to make it more readable) :</p> <blockquote> <pre><code> open(1,FILE='fort.10') read(1,*)NAT1 write(*,*)'Lecture de Nat1=',NAT1 read(1,*) do i=1,nsites read(1,*)parcon(i),x(i),y(i),zcoord(i) enddo print*, x(4663659),y(4663659),zcoord(4663659) print*, x(4663663),y(4663663),zcoord(4663663) !HERE print*, x(4669671),y(4669671),zcoord(4669671) print*, x(4673254),y(4673254),zcoord(4673254) iflag=0 iflagg=0 impurityCounter=0 C4Counter=0 do i=1,nsites nvo=0 if(i.le.(nsites-93998)) then jj=i-10000 jjj=i+10000 do j=jj,jjj,1 if((j.gt.0).and.(j.le.(nsites-93998))) then dist=dsqrt((x(j)-x(i))**2+(y(j)-y(i))**2 . +(zcoord(j)-zcoord(i))**2) if((dist.lt.(1.11*aCC)) . .and.(j.ne.i).and.(dist.gt.0.1)) then nvo=nvo+1 v(i,nvo)=j if(i.eq.4663660) then !THERE print*, dist,j,x(j),y(j),zcoord(j) endif endif endif enddo jjjj=nsites-93998+1 do j=jjjj,nsites,1 dist=dsqrt((x(j)-x(i))**2+(y(j)-y(i))**2 . +(zcoord(j)-zcoord(i))**2) if((dist.lt.(1.11*aCC)).and.(j.ne.i).and.(dist.gt.0.1)) then nvo=nvo+1 v(i,nvo)=j endif enddo else do j=1,nsites dist=dsqrt((x(j)-x(i))**2+(y(j)-y(i))**2 . +(zcoord(j)-zcoord(i))**2) if((dist.lt.(1.11*aCC)).and.(j.ne.i).and.(dist.gt.0.1)) then nvo=nvo+1 v(i,nvo)=j endif enddo endif if ((nvo.eq.2).AND.(parcon(i).eq.'C')) then iflag=iflag+1 vpb(iflag)=i endif if((nvo.eq.1).AND.(parcon(i).eq.'C')) then iflagg=iflagg+1 vpbb(iflagg)=i endif !count the number of impurities if((nvo.eq.2).AND.(parcon(i).eq.'O1')) then impurityCounter=impurityCounter+1 impurityVector(impurityCounter)=i endif if((nvo.eq.2).AND.(parcon(i).eq.'O2')) then impurityCounter=impurityCounter+1 impurityVector(impurityCounter)=i endif !If nvo equals 4, there is a BAD counting! if(nvo.eq.4) then print*, v(i,1) print*, v(i,2) print*, v(i,3) print*, v(i,4) print*, x(i), y(i) endif if(nvo.eq.5) then C4Counter=C4Counter+1 C4Vector(C4Counter)=i endif enddo </code></pre> </blockquote> <p>I added !HERE and !THERE to show you where are the two places I print the x, y and zcoord of the element 4669671...</p>

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