nb_kernel202_ia32_sse.s

来自「最著名最快的分子模拟软件」· S 代码 · 共 1,957 行 · 第 1/5 页

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        ## xmm4= jxH2a jyH2a jxH2c jyH2c         ## xmm5= jxOb  jyOb  jxOd  jyOd         ## xmm6= jxH1b jyH1b jxH1d jyH1d         ## xmm7= jxH2b jyH2b jxH2d jyH2d         movaps %xmm2,%xmm0        movaps %xmm3,%xmm1        unpcklps %xmm5,%xmm0    ## xmm0= jxOa  jxOb  jyOa  jyOb         unpcklps %xmm6,%xmm1    ## xmm1= jxH1a jxH1b jyH1a jyH1b         unpckhps %xmm5,%xmm2    ## xmm2= jxOc  jxOd  jyOc  jyOd         unpckhps %xmm6,%xmm3    ## xmm3= jxH1c jxH1d jyH1c jyH1d         movaps %xmm4,%xmm5        movaps   %xmm0,%xmm6        unpcklps %xmm7,%xmm4    ## xmm4= jxH2a jxH2b jyH2a jyH2b                        unpckhps %xmm7,%xmm5    ## xmm5= jxH2c jxH2d jyH2c jyH2d         movaps   %xmm1,%xmm7        movlhps  %xmm2,%xmm0    ## xmm0= jxOa  jxOb  jxOc  jxOd         movaps %xmm0,nb202_jxO(%esp)        movhlps  %xmm6,%xmm2    ## xmm2= jyOa  jyOb  jyOc  jyOd         movaps %xmm2,nb202_jyO(%esp)        movlhps  %xmm3,%xmm1        movaps %xmm1,nb202_jxH1(%esp)        movhlps  %xmm7,%xmm3        movaps   %xmm4,%xmm6        movaps %xmm3,nb202_jyH1(%esp)        movlhps  %xmm5,%xmm4        movaps %xmm4,nb202_jxH2(%esp)        movhlps  %xmm6,%xmm5        movaps %xmm5,nb202_jyH2(%esp)        movss  8(%esi,%eax,4),%xmm0        movss  20(%esi,%eax,4),%xmm1        movss  32(%esi,%eax,4),%xmm2        movss  8(%esi,%ecx,4),%xmm3        movss  20(%esi,%ecx,4),%xmm4        movss  32(%esi,%ecx,4),%xmm5        movhps 4(%esi,%ebx,4),%xmm0        movhps 16(%esi,%ebx,4),%xmm1        movhps 28(%esi,%ebx,4),%xmm2        movhps 4(%esi,%edx,4),%xmm3        movhps 16(%esi,%edx,4),%xmm4        movhps 28(%esi,%edx,4),%xmm5        shufps $204,%xmm3,%xmm0 ## constant 11001100        shufps $204,%xmm4,%xmm1 ## constant 11001100        shufps $204,%xmm5,%xmm2 ## constant 11001100        movaps %xmm0,nb202_jzO(%esp)        movaps %xmm1,nb202_jzH1(%esp)        movaps %xmm2,nb202_jzH2(%esp)        movaps nb202_ixO(%esp),%xmm0        movaps nb202_iyO(%esp),%xmm1        movaps nb202_izO(%esp),%xmm2        movaps nb202_ixO(%esp),%xmm3        movaps nb202_iyO(%esp),%xmm4        movaps nb202_izO(%esp),%xmm5        subps  nb202_jxO(%esp),%xmm0        subps  nb202_jyO(%esp),%xmm1        subps  nb202_jzO(%esp),%xmm2        subps  nb202_jxH1(%esp),%xmm3        subps  nb202_jyH1(%esp),%xmm4        subps  nb202_jzH1(%esp),%xmm5        movaps %xmm0,nb202_dxOO(%esp)        movaps %xmm1,nb202_dyOO(%esp)        movaps %xmm2,nb202_dzOO(%esp)        mulps  %xmm0,%xmm0        mulps  %xmm1,%xmm1        mulps  %xmm2,%xmm2        movaps %xmm3,nb202_dxOH1(%esp)        movaps %xmm4,nb202_dyOH1(%esp)        movaps %xmm5,nb202_dzOH1(%esp)        mulps  %xmm3,%xmm3        mulps  %xmm4,%xmm4        mulps  %xmm5,%xmm5        addps  %xmm1,%xmm0        addps  %xmm2,%xmm0        addps  %xmm4,%xmm3        addps  %xmm5,%xmm3        movaps %xmm0,nb202_rsqOO(%esp)        movaps %xmm3,nb202_rsqOH1(%esp)        movaps nb202_ixO(%esp),%xmm0        movaps nb202_iyO(%esp),%xmm1        movaps nb202_izO(%esp),%xmm2        movaps nb202_ixH1(%esp),%xmm3        movaps nb202_iyH1(%esp),%xmm4        movaps nb202_izH1(%esp),%xmm5        subps  nb202_jxH2(%esp),%xmm0        subps  nb202_jyH2(%esp),%xmm1        subps  nb202_jzH2(%esp),%xmm2        subps  nb202_jxO(%esp),%xmm3        subps  nb202_jyO(%esp),%xmm4        subps  nb202_jzO(%esp),%xmm5        movaps %xmm0,nb202_dxOH2(%esp)        movaps %xmm1,nb202_dyOH2(%esp)        movaps %xmm2,nb202_dzOH2(%esp)        mulps  %xmm0,%xmm0        mulps  %xmm1,%xmm1        mulps  %xmm2,%xmm2        movaps %xmm3,nb202_dxH1O(%esp)        movaps %xmm4,nb202_dyH1O(%esp)        movaps %xmm5,nb202_dzH1O(%esp)        mulps  %xmm3,%xmm3        mulps  %xmm4,%xmm4        mulps  %xmm5,%xmm5        addps  %xmm1,%xmm0        addps  %xmm2,%xmm0        addps  %xmm4,%xmm3        addps  %xmm5,%xmm3        movaps %xmm0,nb202_rsqOH2(%esp)        movaps %xmm3,nb202_rsqH1O(%esp)        movaps nb202_ixH1(%esp),%xmm0        movaps nb202_iyH1(%esp),%xmm1        movaps nb202_izH1(%esp),%xmm2        movaps nb202_ixH1(%esp),%xmm3        movaps nb202_iyH1(%esp),%xmm4        movaps nb202_izH1(%esp),%xmm5        subps  nb202_jxH1(%esp),%xmm0        subps  nb202_jyH1(%esp),%xmm1        subps  nb202_jzH1(%esp),%xmm2        subps  nb202_jxH2(%esp),%xmm3        subps  nb202_jyH2(%esp),%xmm4        subps  nb202_jzH2(%esp),%xmm5        movaps %xmm0,nb202_dxH1H1(%esp)        movaps %xmm1,nb202_dyH1H1(%esp)        movaps %xmm2,nb202_dzH1H1(%esp)        mulps  %xmm0,%xmm0        mulps  %xmm1,%xmm1        mulps  %xmm2,%xmm2        movaps %xmm3,nb202_dxH1H2(%esp)        movaps %xmm4,nb202_dyH1H2(%esp)        movaps %xmm5,nb202_dzH1H2(%esp)        mulps  %xmm3,%xmm3        mulps  %xmm4,%xmm4        mulps  %xmm5,%xmm5        addps  %xmm1,%xmm0        addps  %xmm2,%xmm0        addps  %xmm4,%xmm3        addps  %xmm5,%xmm3        movaps %xmm0,nb202_rsqH1H1(%esp)        movaps %xmm3,nb202_rsqH1H2(%esp)        movaps nb202_ixH2(%esp),%xmm0        movaps nb202_iyH2(%esp),%xmm1        movaps nb202_izH2(%esp),%xmm2        movaps nb202_ixH2(%esp),%xmm3        movaps nb202_iyH2(%esp),%xmm4        movaps nb202_izH2(%esp),%xmm5        subps  nb202_jxO(%esp),%xmm0        subps  nb202_jyO(%esp),%xmm1        subps  nb202_jzO(%esp),%xmm2        subps  nb202_jxH1(%esp),%xmm3        subps  nb202_jyH1(%esp),%xmm4        subps  nb202_jzH1(%esp),%xmm5        movaps %xmm0,nb202_dxH2O(%esp)        movaps %xmm1,nb202_dyH2O(%esp)        movaps %xmm2,nb202_dzH2O(%esp)        mulps  %xmm0,%xmm0        mulps  %xmm1,%xmm1        mulps  %xmm2,%xmm2        movaps %xmm3,nb202_dxH2H1(%esp)        movaps %xmm4,nb202_dyH2H1(%esp)        movaps %xmm5,nb202_dzH2H1(%esp)        mulps  %xmm3,%xmm3        mulps  %xmm4,%xmm4        mulps  %xmm5,%xmm5        addps  %xmm1,%xmm0        addps  %xmm2,%xmm0        addps  %xmm3,%xmm4        addps  %xmm5,%xmm4        movaps %xmm0,nb202_rsqH2O(%esp)        movaps %xmm4,nb202_rsqH2H1(%esp)        movaps nb202_ixH2(%esp),%xmm0        movaps nb202_iyH2(%esp),%xmm1        movaps nb202_izH2(%esp),%xmm2        subps  nb202_jxH2(%esp),%xmm0        subps  nb202_jyH2(%esp),%xmm1        subps  nb202_jzH2(%esp),%xmm2        movaps %xmm0,nb202_dxH2H2(%esp)        movaps %xmm1,nb202_dyH2H2(%esp)        movaps %xmm2,nb202_dzH2H2(%esp)        mulps %xmm0,%xmm0        mulps %xmm1,%xmm1        mulps %xmm2,%xmm2        addps %xmm1,%xmm0        addps %xmm2,%xmm0        movaps %xmm0,nb202_rsqH2H2(%esp)        ## start doing invsqrt use rsq values in xmm0, xmm4         rsqrtps %xmm0,%xmm1        rsqrtps %xmm4,%xmm5        movaps  %xmm1,%xmm2        movaps  %xmm5,%xmm6        mulps   %xmm1,%xmm1        mulps   %xmm5,%xmm5        movaps  nb202_three(%esp),%xmm3        movaps  %xmm3,%xmm7        mulps   %xmm0,%xmm1        mulps   %xmm4,%xmm5        subps   %xmm1,%xmm3        subps   %xmm5,%xmm7        mulps   %xmm2,%xmm3        mulps   %xmm6,%xmm7        mulps   nb202_half(%esp),%xmm3   ## rinvH2H2         mulps   nb202_half(%esp),%xmm7   ## rinvH2H1         movaps  %xmm3,nb202_rinvH2H2(%esp)        movaps  %xmm7,nb202_rinvH2H1(%esp)        rsqrtps nb202_rsqOO(%esp),%xmm1        rsqrtps nb202_rsqOH1(%esp),%xmm5        movaps  %xmm1,%xmm2        movaps  %xmm5,%xmm6        mulps   %xmm1,%xmm1        mulps   %xmm5,%xmm5        movaps  nb202_three(%esp),%xmm3        movaps  %xmm3,%xmm7        mulps   nb202_rsqOO(%esp),%xmm1        mulps   nb202_rsqOH1(%esp),%xmm5        subps   %xmm1,%xmm3        subps   %xmm5,%xmm7        mulps   %xmm2,%xmm3        mulps   %xmm6,%xmm7        mulps   nb202_half(%esp),%xmm3        mulps   nb202_half(%esp),%xmm7        movaps  %xmm3,nb202_rinvOO(%esp)        movaps  %xmm7,nb202_rinvOH1(%esp)        rsqrtps nb202_rsqOH2(%esp),%xmm1        rsqrtps nb202_rsqH1O(%esp),%xmm5        movaps  %xmm1,%xmm2        movaps  %xmm5,%xmm6        mulps   %xmm1,%xmm1        mulps   %xmm5,%xmm5        movaps  nb202_three(%esp),%xmm3        movaps  %xmm3,%xmm7        mulps   nb202_rsqOH2(%esp),%xmm1        mulps   nb202_rsqH1O(%esp),%xmm5        subps   %xmm1,%xmm3        subps   %xmm5,%xmm7        mulps   %xmm2,%xmm3        mulps   %xmm6,%xmm7        mulps   nb202_half(%esp),%xmm3        mulps   nb202_half(%esp),%xmm7        movaps  %xmm3,nb202_rinvOH2(%esp)        movaps  %xmm7,nb202_rinvH1O(%esp)        rsqrtps nb202_rsqH1H1(%esp),%xmm1        rsqrtps nb202_rsqH1H2(%esp),%xmm5        movaps  %xmm1,%xmm2        movaps  %xmm5,%xmm6        mulps   %xmm1,%xmm1        mulps   %xmm5,%xmm5        movaps  nb202_three(%esp),%xmm3        movaps  %xmm3,%xmm7        mulps   nb202_rsqH1H1(%esp),%xmm1        mulps   nb202_rsqH1H2(%esp),%xmm5        subps   %xmm1,%xmm3        subps   %xmm5,%xmm7        mulps   %xmm2,%xmm3        mulps   %xmm6,%xmm7        mulps   nb202_half(%esp),%xmm3        mulps   nb202_half(%esp),%xmm7        movaps  %xmm3,nb202_rinvH1H1(%esp)        movaps  %xmm7,nb202_rinvH1H2(%esp)        rsqrtps nb202_rsqH2O(%esp),%xmm1        movaps  %xmm1,%xmm2        mulps   %xmm1,%xmm1        movaps  nb202_three(%esp),%xmm3        mulps   nb202_rsqH2O(%esp),%xmm1        subps   %xmm1,%xmm3        mulps   %xmm2,%xmm3        mulps   nb202_half(%esp),%xmm3        movaps  %xmm3,nb202_rinvH2O(%esp)        ## start with OO interaction         movaps nb202_rinvOO(%esp),%xmm0        movaps %xmm0,%xmm7      ## xmm7=rinv         movaps nb202_krf(%esp),%xmm5        mulps  %xmm0,%xmm0      ## xmm0=rinvsq         mulps  nb202_rsqOO(%esp),%xmm5   ## xmm5=krsq         movaps %xmm5,%xmm6        addps  %xmm7,%xmm6      ## xmm6=rinv+ krsq         subps  nb202_crf(%esp),%xmm6        mulps  nb202_qqOO(%esp),%xmm6   ## xmm6=voul=qq*(rinv+ krsq-crf)         mulps nb202_two(%esp),%xmm5        subps  %xmm5,%xmm7      ## xmm7=rinv-2*krsq         mulps  nb202_qqOO(%esp),%xmm7   ## xmm7 = coul part of fscal         addps  nb202_vctot(%esp),%xmm6   ## local vctot summation variable         mulps  %xmm7,%xmm0        movaps %xmm0,%xmm1        movaps %xmm0,%xmm2        xorps %xmm3,%xmm3        movaps %xmm3,%xmm4        movaps %xmm3,%xmm5        mulps nb202_dxOO(%esp),%xmm0        mulps nb202_dyOO(%esp),%xmm1        mulps nb202_dzOO(%esp),%xmm2        subps %xmm0,%xmm3        subps %xmm1,%xmm4        subps %xmm2,%xmm5        addps nb202_fixO(%esp),%xmm0        addps nb202_fiyO(%esp),%xmm1        addps nb202_fizO(%esp),%xmm2        movaps %xmm3,nb202_fjxO(%esp)        movaps %xmm4,nb202_fjyO(%esp)        movaps %xmm5,nb202_fjzO(%esp)        movaps %xmm0,nb202_fixO(%esp)        movaps %xmm1,nb202_fiyO(%esp)        movaps %xmm2,nb202_fizO(%esp)        ## O-H1 interaction         movaps nb202_rinvOH1(%esp),%xmm0        movaps %xmm0,%xmm7      ## xmm7=rinv         movaps nb202_krf(%esp),%xmm5        movaps %xmm0,%xmm1        mulps  nb202_rsqOH1(%esp),%xmm5   ## xmm5=krsq         movaps %xmm5,%xmm4        addps  %xmm7,%xmm4      ## xmm4=r inv+ krsq         subps  nb202_crf(%esp),%xmm4        mulps  %xmm0,%xmm0        mulps  nb202_qqOH(%esp),%xmm4   ## xmm4=voul=qq*(rinv+ krsq-crf)         mulps  nb202_two(%esp),%xmm5        subps  %xmm5,%xmm7      ## xmm7=rinv-2*krsq         mulps  nb202_qqOH(%esp),%xmm7   ## xmm7 = coul part of fscal         addps  %xmm4,%xmm6      ## add to local vctot         mulps %xmm7,%xmm0       ## fsOH1          movaps %xmm0,%xmm1        movaps %xmm0,%xmm2        xorps %xmm3,%xmm3        movaps %xmm3,%xmm4        movaps %xmm3,%xmm5        mulps nb202_dxOH1(%esp),%xmm0        mulps nb202_dyOH1(%esp),%xmm1        mulps nb202_dzOH1(%esp),%xmm2        subps %xmm0,%xmm3        subps %xmm1,%xmm4        subps %xmm2,%xmm5        addps nb202_fixO(%esp),%xmm0        addps nb202_fiyO(%esp),%xmm1        addps nb202_fizO(%esp),%xmm2        movaps %xmm3,nb202_fjxH1(%esp)        movaps %xmm4,nb202_fjyH1(%esp)        movaps %xmm5,nb202_fjzH1(%esp)        movaps %xmm0,nb202_fixO(%esp)        movaps %xmm1,nb202_fiyO(%esp)        movaps %xmm2,nb202_fizO(%esp)        ## O-H2 interaction          movaps nb202_rinvOH2(%esp),%xmm0        movaps %xmm0,%xmm7      ## xmm7=rinv         movaps nb202_krf(%esp),%xmm5        movaps %xmm0,%xmm1        mulps  nb202_rsqOH2(%esp),%xmm5   ## xmm5=krsq         movaps %xmm5,%xmm4        addps  %xmm7,%xmm4      ## xmm4=r inv+ krsq         subps  nb202_crf(%esp),%xmm4        mulps %xmm0,%xmm0        mulps  nb202_qqOH(%esp),%xmm4   ## xmm4=voul=qq*(rinv+ krsq-crf)         mulps  nb202_two(%esp),%xmm5        subps  %xmm5,%xmm7      ## xmm7=rinv-2*krsq         mulps  nb202_qqOH(%esp),%xmm7   ## xmm7 = coul part of fscal         addps  %xmm4,%xmm6      ## add to local vctot         mulps %xmm7,%xmm0       ## fsOH2         movaps %xmm0,%xmm1        movaps %xmm0,%xmm2        xorps %xmm3,%xmm3        movaps %xmm3,%xmm4        movaps %xmm3,%xmm5        mulps nb202_dxOH2(%esp),%xmm0        mulps nb202_dyOH2(%esp),%xmm1        mulps nb202_dzOH2(%esp),%xmm2        subps %xmm0,%xmm3        subps %xmm1,%xmm4        subps %xmm2,%xmm5        addps nb202_fixO(%esp),%xmm0        addps nb202_fiyO(%esp),%xmm1        addps nb202_fizO(%esp),%xmm2        movaps %xmm3,nb202_fjxH2(%esp)        movaps %xmm4,nb202_fjyH2(%esp)        movaps %xmm5,nb202_fjzH2(%esp)
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nb_kernel202_ia32_sse.s - 源码说明

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