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astringent

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ld: rel32 out of range in start in start from /usr/lib/crt1.10.5.o
collect2: ld returned 1 exit status
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integer,parapemer::nstep=5000  (nstepΪѭ»·±äÁ¿µÄÖÕÖµ)
real*8 xcm(nattot,nstep),ycm(nattot,nstep),zcm(nattot,nstep)
real*8 msd(nstep)
ntime=0
        msd=0.0d0
        do i=1,nstep-1,10
           do j=i+1,nstep
              m=j-i
              ntime(m)=ntime(m)+1
              do k=1,nwat
                 xdiff = xcm(p(k),j) - xcm(p(k),i)
                 ydiff = ycm(p(k),j) - ycm(p(k),i)
                 zdiff = zcm(p(k),j) - zcm(p(k),i)
                 msd(m) =msd(m)+xdiff*xdiff+ydiff*ydiff+zdiff*zdiff
               enddo
            enddo
          enddo
          do i=1,nstep-1
             msd(i)=msd(i)/(dble(nwat)*dble(ntime(i)))
             write(nout,*) dble(i)*dt,msd(i)
          enddo
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snoopyzhao

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ÓàÔó³É(½ð±Ò+1): лл²ÎÓëÓ¦Öú£¡ 2011-02-20 15:50:59
ÄãÕâÀdble, ntime µÄ dimension ÊǶàÉÙ£¿£¿
2Â¥2011-01-29 10:14:20
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astringent

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ÒýÓûØÌû:
Originally posted by snoopyzhao at 2011-01-29 10:14:20:
ÄãÕâÀdble, ntime µÄ dimension ÊǶàÉÙ£¿£¿

¿ÉÄÜÊÇÕ⼸¸öxcm(nattot,nstep),ycm(nattot,nstep),zcm(nattot,nstep)Ì«´ó£¬ÆäÖÐnattot=28000£¬nstep=5000
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3Â¥2011-01-29 16:07:04
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scatcj

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4Â¥2011-02-22 23:50:47
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