nb_kernel134_ia32_sse.s

来自「最著名最快的分子模拟软件」· S 代码 · 共 2,068 行 · 第 1/5 页

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        leal  (%ecx,%ecx,2),%ecx        ## replace jnr with j3         leal  (%edx,%edx,2),%edx        ## move j coordinates to local temp variables        ## Load Ox, Oy, Oz, H1x         movlps (%esi,%eax,4),%xmm1      ##  Oxa   Oya    -    -        movlps (%esi,%ecx,4),%xmm4      ##  Oxc   Oyc    -    -        movhps (%esi,%ebx,4),%xmm1      ##  Oxa   Oya   Oxb   Oyb         movhps (%esi,%edx,4),%xmm4      ##  Oxc   Oyc   Oxd   Oyd         movaps %xmm1,%xmm0              ##  Oxa   Oya   Oxb   Oyb         shufps $0x88,%xmm4,%xmm0       ##  Oxa   Oxb   Oxc   Oxd        shufps $0xDD,%xmm4,%xmm1       ##  Oya   Oyb   Oyc   Oyd        movlps 8(%esi,%eax,4),%xmm3     ##  Oza  H1xa    -    -        movlps 8(%esi,%ecx,4),%xmm5     ##  Ozc  H1xc    -    -        movhps 8(%esi,%ebx,4),%xmm3     ##  Oza  H1xa   Ozb  H1xb         movhps 8(%esi,%edx,4),%xmm5     ##  Ozc  H1xc   Ozd  H1xd         movaps %xmm3,%xmm2              ##  Oza  H1xa   Ozb  H1xb         shufps $0x88,%xmm5,%xmm2       ##  Oza   Ozb   Ozc   Ozd        shufps $0xDD,%xmm5,%xmm3       ## H1xa  H1xb  H1xc  H1xd        ## coordinates in xmm0-xmm3             ## store        movaps %xmm0,nb134_jxO(%esp)        movaps %xmm1,nb134_jyO(%esp)        movaps %xmm2,nb134_jzO(%esp)        movaps %xmm3,nb134_jxH1(%esp)        ## Load H1y H1z H2x H2y         movlps 16(%esi,%eax,4),%xmm1        movlps 16(%esi,%ecx,4),%xmm4        movhps 16(%esi,%ebx,4),%xmm1        movhps 16(%esi,%edx,4),%xmm4        movaps %xmm1,%xmm0        shufps $0x88,%xmm4,%xmm0        shufps $0xDD,%xmm4,%xmm1        movlps 24(%esi,%eax,4),%xmm3        movlps 24(%esi,%ecx,4),%xmm5        movhps 24(%esi,%ebx,4),%xmm3        movhps 24(%esi,%edx,4),%xmm5        movaps %xmm3,%xmm2        shufps $0x88,%xmm5,%xmm2        shufps $0xDD,%xmm5,%xmm3        ## coordinates in xmm0-xmm3             ## store        movaps %xmm0,nb134_jyH1(%esp)        movaps %xmm1,nb134_jzH1(%esp)        movaps %xmm2,nb134_jxH2(%esp)        movaps %xmm3,nb134_jyH2(%esp)        ## Load H2z Mx My Mz         movlps 32(%esi,%eax,4),%xmm1        movlps 32(%esi,%ecx,4),%xmm4        movhps 32(%esi,%ebx,4),%xmm1        movhps 32(%esi,%edx,4),%xmm4        movaps %xmm1,%xmm0        shufps $0x88,%xmm4,%xmm0        shufps $0xDD,%xmm4,%xmm1        movlps 40(%esi,%eax,4),%xmm3        movlps 40(%esi,%ecx,4),%xmm5        movhps 40(%esi,%ebx,4),%xmm3        movhps 40(%esi,%edx,4),%xmm5        movaps %xmm3,%xmm2        shufps $0x88,%xmm5,%xmm2        shufps $0xDD,%xmm5,%xmm3        ## coordinates in xmm0-xmm3             ## store        movaps %xmm0,nb134_jzH2(%esp)        movaps %xmm1,nb134_jxM(%esp)        movaps %xmm2,nb134_jyM(%esp)        movaps %xmm3,nb134_jzM(%esp)        ## start calculating pairwise distances        movaps nb134_ixO(%esp),%xmm0        movaps nb134_iyO(%esp),%xmm1        movaps nb134_izO(%esp),%xmm2        movaps nb134_ixH1(%esp),%xmm3        movaps nb134_iyH1(%esp),%xmm4        movaps nb134_izH1(%esp),%xmm5        subps  nb134_jxO(%esp),%xmm0        subps  nb134_jyO(%esp),%xmm1        subps  nb134_jzO(%esp),%xmm2        subps  nb134_jxH1(%esp),%xmm3        subps  nb134_jyH1(%esp),%xmm4        subps  nb134_jzH1(%esp),%xmm5        movaps %xmm0,nb134_dxOO(%esp)        movaps %xmm1,nb134_dyOO(%esp)        movaps %xmm2,nb134_dzOO(%esp)        mulps  %xmm0,%xmm0        mulps  %xmm1,%xmm1        mulps  %xmm2,%xmm2        movaps %xmm3,nb134_dxH1H1(%esp)        movaps %xmm4,nb134_dyH1H1(%esp)        movaps %xmm5,nb134_dzH1H1(%esp)        mulps  %xmm3,%xmm3        mulps  %xmm4,%xmm4        mulps  %xmm5,%xmm5        addps  %xmm1,%xmm0        addps  %xmm2,%xmm0        addps  %xmm4,%xmm3        addps  %xmm5,%xmm3        movaps %xmm0,nb134_rsqOO(%esp)        movaps %xmm3,nb134_rsqH1H1(%esp)        movaps nb134_ixH1(%esp),%xmm0        movaps nb134_iyH1(%esp),%xmm1        movaps nb134_izH1(%esp),%xmm2        movaps %xmm0,%xmm3        movaps %xmm1,%xmm4        movaps %xmm2,%xmm5        subps  nb134_jxH2(%esp),%xmm0        subps  nb134_jyH2(%esp),%xmm1        subps  nb134_jzH2(%esp),%xmm2        subps  nb134_jxM(%esp),%xmm3        subps  nb134_jyM(%esp),%xmm4        subps  nb134_jzM(%esp),%xmm5        movaps %xmm0,nb134_dxH1H2(%esp)        movaps %xmm1,nb134_dyH1H2(%esp)        movaps %xmm2,nb134_dzH1H2(%esp)        mulps  %xmm0,%xmm0        mulps  %xmm1,%xmm1        mulps  %xmm2,%xmm2        movaps %xmm3,nb134_dxH1M(%esp)        movaps %xmm4,nb134_dyH1M(%esp)        movaps %xmm5,nb134_dzH1M(%esp)        mulps  %xmm3,%xmm3        mulps  %xmm4,%xmm4        mulps  %xmm5,%xmm5        addps  %xmm1,%xmm0        addps  %xmm2,%xmm0        addps  %xmm4,%xmm3        addps  %xmm5,%xmm3        movaps %xmm0,nb134_rsqH1H2(%esp)        movaps %xmm3,nb134_rsqH1M(%esp)        movaps nb134_ixH2(%esp),%xmm0        movaps nb134_iyH2(%esp),%xmm1        movaps nb134_izH2(%esp),%xmm2        movaps %xmm0,%xmm3        movaps %xmm1,%xmm4        movaps %xmm2,%xmm5        subps  nb134_jxH1(%esp),%xmm0        subps  nb134_jyH1(%esp),%xmm1        subps  nb134_jzH1(%esp),%xmm2        subps  nb134_jxH2(%esp),%xmm3        subps  nb134_jyH2(%esp),%xmm4        subps  nb134_jzH2(%esp),%xmm5        movaps %xmm0,nb134_dxH2H1(%esp)        movaps %xmm1,nb134_dyH2H1(%esp)        movaps %xmm2,nb134_dzH2H1(%esp)        mulps  %xmm0,%xmm0        mulps  %xmm1,%xmm1        mulps  %xmm2,%xmm2        movaps %xmm3,nb134_dxH2H2(%esp)        movaps %xmm4,nb134_dyH2H2(%esp)        movaps %xmm5,nb134_dzH2H2(%esp)        mulps  %xmm3,%xmm3        mulps  %xmm4,%xmm4        mulps  %xmm5,%xmm5        addps  %xmm1,%xmm0        addps  %xmm2,%xmm0        addps  %xmm4,%xmm3        addps  %xmm5,%xmm3        movaps %xmm0,nb134_rsqH2H1(%esp)        movaps %xmm3,nb134_rsqH2H2(%esp)        movaps nb134_ixH2(%esp),%xmm0        movaps nb134_iyH2(%esp),%xmm1        movaps nb134_izH2(%esp),%xmm2        movaps nb134_ixM(%esp),%xmm3        movaps nb134_iyM(%esp),%xmm4        movaps nb134_izM(%esp),%xmm5        subps  nb134_jxM(%esp),%xmm0        subps  nb134_jyM(%esp),%xmm1        subps  nb134_jzM(%esp),%xmm2        subps  nb134_jxH1(%esp),%xmm3        subps  nb134_jyH1(%esp),%xmm4        subps  nb134_jzH1(%esp),%xmm5        movaps %xmm0,nb134_dxH2M(%esp)        movaps %xmm1,nb134_dyH2M(%esp)        movaps %xmm2,nb134_dzH2M(%esp)        mulps  %xmm0,%xmm0        mulps  %xmm1,%xmm1        mulps  %xmm2,%xmm2        movaps %xmm3,nb134_dxMH1(%esp)        movaps %xmm4,nb134_dyMH1(%esp)        movaps %xmm5,nb134_dzMH1(%esp)        mulps  %xmm3,%xmm3        mulps  %xmm4,%xmm4        mulps  %xmm5,%xmm5        addps  %xmm1,%xmm0        addps  %xmm2,%xmm0        addps  %xmm3,%xmm4        addps  %xmm5,%xmm4        movaps %xmm0,nb134_rsqH2M(%esp)        movaps %xmm4,nb134_rsqMH1(%esp)        movaps nb134_ixM(%esp),%xmm0        movaps nb134_iyM(%esp),%xmm1        movaps nb134_izM(%esp),%xmm2        movaps %xmm0,%xmm3        movaps %xmm1,%xmm4        movaps %xmm2,%xmm5        subps  nb134_jxH2(%esp),%xmm0        subps  nb134_jyH2(%esp),%xmm1        subps  nb134_jzH2(%esp),%xmm2        subps  nb134_jxM(%esp),%xmm3        subps  nb134_jyM(%esp),%xmm4        subps  nb134_jzM(%esp),%xmm5        movaps %xmm0,nb134_dxMH2(%esp)        movaps %xmm1,nb134_dyMH2(%esp)        movaps %xmm2,nb134_dzMH2(%esp)        mulps  %xmm0,%xmm0        mulps  %xmm1,%xmm1        mulps  %xmm2,%xmm2        movaps %xmm3,nb134_dxMM(%esp)        movaps %xmm4,nb134_dyMM(%esp)        movaps %xmm5,nb134_dzMM(%esp)        mulps  %xmm3,%xmm3        mulps  %xmm4,%xmm4        mulps  %xmm5,%xmm5        addps  %xmm1,%xmm0        addps  %xmm2,%xmm0        addps  %xmm3,%xmm4        addps  %xmm5,%xmm4        movaps %xmm0,nb134_rsqMH2(%esp)        movaps %xmm4,nb134_rsqMM(%esp)        ## start by doing invsqrt for OO        rsqrtps nb134_rsqOO(%esp),%xmm1        movaps  %xmm1,%xmm2        mulps   %xmm1,%xmm1        movaps  nb134_three(%esp),%xmm3        mulps   nb134_rsqOO(%esp),%xmm1        subps   %xmm1,%xmm3        mulps   %xmm2,%xmm3        mulps   nb134_half(%esp),%xmm3        movaps  %xmm3,nb134_rinvOO(%esp)        ## more invsqrt ops - do two at a time.        rsqrtps nb134_rsqH1H1(%esp),%xmm1        rsqrtps nb134_rsqH1H2(%esp),%xmm5        movaps  %xmm1,%xmm2        movaps  %xmm5,%xmm6        mulps   %xmm1,%xmm1        mulps   %xmm5,%xmm5        movaps  nb134_three(%esp),%xmm3        movaps  %xmm3,%xmm7        mulps   nb134_rsqH1H1(%esp),%xmm1        mulps   nb134_rsqH1H2(%esp),%xmm5        subps   %xmm1,%xmm3        subps   %xmm5,%xmm7        mulps   %xmm2,%xmm3        mulps   %xmm6,%xmm7        mulps   nb134_half(%esp),%xmm3   ## rinvH1H1         mulps   nb134_half(%esp),%xmm7   ## rinvH1H2         movaps  %xmm3,nb134_rinvH1H1(%esp)        movaps  %xmm7,nb134_rinvH1H2(%esp)        rsqrtps nb134_rsqH1M(%esp),%xmm1        rsqrtps nb134_rsqH2H1(%esp),%xmm5        movaps  %xmm1,%xmm2        movaps  %xmm5,%xmm6        mulps   %xmm1,%xmm1        mulps   %xmm5,%xmm5        movaps  nb134_three(%esp),%xmm3        movaps  %xmm3,%xmm7        mulps   nb134_rsqH1M(%esp),%xmm1        mulps   nb134_rsqH2H1(%esp),%xmm5        subps   %xmm1,%xmm3        subps   %xmm5,%xmm7        mulps   %xmm2,%xmm3        mulps   %xmm6,%xmm7        mulps   nb134_half(%esp),%xmm3        mulps   nb134_half(%esp),%xmm7        movaps  %xmm3,nb134_rinvH1M(%esp)        movaps  %xmm7,nb134_rinvH2H1(%esp)        rsqrtps nb134_rsqH2H2(%esp),%xmm1        rsqrtps nb134_rsqH2M(%esp),%xmm5        movaps  %xmm1,%xmm2        movaps  %xmm5,%xmm6        mulps   %xmm1,%xmm1        mulps   %xmm5,%xmm5        movaps  nb134_three(%esp),%xmm3        movaps  %xmm3,%xmm7        mulps   nb134_rsqH2H2(%esp),%xmm1        mulps   nb134_rsqH2M(%esp),%xmm5        subps   %xmm1,%xmm3        subps   %xmm5,%xmm7        mulps   %xmm2,%xmm3        mulps   %xmm6,%xmm7        mulps   nb134_half(%esp),%xmm3        mulps   nb134_half(%esp),%xmm7        movaps  %xmm3,nb134_rinvH2H2(%esp)        movaps  %xmm7,nb134_rinvH2M(%esp)        rsqrtps nb134_rsqMH1(%esp),%xmm1        rsqrtps nb134_rsqMH2(%esp),%xmm5        movaps  %xmm1,%xmm2        movaps  %xmm5,%xmm6        mulps   %xmm1,%xmm1        mulps   %xmm5,%xmm5        movaps  nb134_three(%esp),%xmm3        movaps  %xmm3,%xmm7        mulps   nb134_rsqMH1(%esp),%xmm1        mulps   nb134_rsqMH2(%esp),%xmm5        subps   %xmm1,%xmm3        subps   %xmm5,%xmm7        mulps   %xmm2,%xmm3        mulps   %xmm6,%xmm7        mulps   nb134_half(%esp),%xmm3        mulps   nb134_half(%esp),%xmm7        movaps  %xmm3,nb134_rinvMH1(%esp)        movaps  %xmm7,nb134_rinvMH2(%esp)        rsqrtps nb134_rsqMM(%esp),%xmm1        movaps  %xmm1,%xmm2        mulps   %xmm1,%xmm1        movaps  nb134_three(%esp),%xmm3        mulps   nb134_rsqMM(%esp),%xmm1        subps   %xmm1,%xmm3        mulps   %xmm2,%xmm3        mulps   nb134_half(%esp),%xmm3        movaps  %xmm3,nb134_rinvMM(%esp)        ## start with OO LJ interaction        movaps nb134_rinvOO(%esp),%xmm0        movaps %xmm0,%xmm1        mulps  nb134_rsqOO(%esp),%xmm1   ## xmm1=r         mulps  nb134_tsc(%esp),%xmm1        movhlps %xmm1,%xmm2    cvttps2pi %xmm1,%mm6    cvttps2pi %xmm2,%mm7    ## mm6/mm7 contain lu indices     cvtpi2ps %mm6,%xmm3    cvtpi2ps %mm7,%xmm2        movlhps  %xmm2,%xmm3        subps    %xmm3,%xmm1    ## xmm1=eps     movaps %xmm1,%xmm2    mulps  %xmm2,%xmm2      ## xmm2=eps2     pslld $3,%mm6    pslld $3,%mm7    movd %eax,%mm0    movd %ebx,%mm1    movd %ecx,%mm2    movd %edx,%mm3    movd %mm6,%eax    psrlq $32,%mm6    movd %mm7,%ecx    psrlq $32,%mm7    movd %mm6,%ebx    movd %mm7,%edx    movl nb134_VFtab(%ebp),%esi    ## dispersion     movlps (%esi,%eax,4),%xmm5    movlps (%esi,%ecx,4),%xmm7    movhps (%esi,%ebx,4),%xmm5    movhps (%esi,%edx,4),%xmm7 ## got half table     movaps %xmm5,%xmm4    shufps $136,%xmm7,%xmm4 ## constant 10001000    shufps $221,%xmm7,%xmm5 ## constant 11011101    movlps 8(%esi,%eax,4),%xmm7    movlps 8(%esi,%ecx,4),%xmm3    movhps 8(%esi,%ebx,4),%xmm7    movhps 8(%esi,%edx,4),%xmm3    ## other half of table      movaps %xmm7,%xmm6    shufps $136,%xmm3,%xmm6 ## constant 10001000    shufps $221,%xmm3,%xmm7 ## constant 11011101    ## dispersion table ready, in xmm4-xmm7     mulps  %xmm1,%xmm6      ## xmm6=Geps     mulps  %xmm2,%xmm7      ## xmm7=Heps2     addps  %xmm6,%xmm5    addps  %xmm7,%xmm5      ## xmm5=Fp     mulps  nb134_two(%esp),%xmm7         ## two*Heps2     addps  %xmm6,%xmm7    addps  %xmm5,%xmm7 ## xmm7=FF     mulps  %xmm1,%xmm5 ## xmm5=eps*Fp     addps  %xmm4,%xmm5 ## xmm5=VV     movaps nb134_c6(%esp),%xmm4    mulps  %xmm4,%xmm7   ## fijD     mulps  %xmm4,%xmm5   ## Vvdw6     movaps  %xmm7,nb134_fstmp(%esp)    addps  nb134_Vvdwtot(%esp),%xmm5    movaps %xmm5,nb134_Vvdwtot(%esp)    ## repulsion     movlps 16(%esi,%eax,4),%xmm5    movlps 16(%esi,%ecx,4),%xmm7    movhps 16(%esi,%ebx,4),%xmm5    movhps 16(%esi,%edx,4),%xmm7    ## got half table     movaps %xmm5,%xmm4    shufps $136,%xmm7,%xmm4 ## constant 10001000    shufps $221,%xmm7,%xmm5 ## constant 11011101    movlps 24(%esi,%eax,4),%xmm7    movlps 24(%esi,%ecx,4),%xmm3    movhps 24(%esi,%ebx,4),%xmm7    movhps 24(%esi,%edx,4),%xmm3    ## other half of table      movaps %xmm7,%xmm6    shufps $136,%xmm3,%xmm6 ## constant 10001000    shufps $221,%xmm3,%xmm7 ## constant 11011101    ## repulsion table ready, in xmm4-xmm7     mulps  %xmm1,%xmm6      ## xmm6=Geps     mulps  %xmm2,%xmm7      ## xmm7=Heps2     addps  %xmm6,%xmm5    addps  %xmm7,%xmm5      ## xmm5=Fp
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nb_kernel134_ia32_sse.s - 源码说明

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