nb_kernel214_ia32_sse.s

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        movl  nb214_faction(%ebp),%edi
        movl  nb214_jjnr(%ebp),%eax
        shll  $2,%ecx
        addl  %ecx,%eax
        movl  %eax,nb214_innerjjnr(%esp)        ## pointer to jjnr[nj0] 
        movl  %edx,%ecx
        subl  $4,%edx
        addl  nb214_ninner(%esp),%ecx
        movl  %ecx,nb214_ninner(%esp)
        addl  $0,%edx
        movl  %edx,nb214_innerk(%esp)   ## number of innerloop atoms 
        jge   _nb_kernel214_ia32_sse.nb214_unroll_loop
        jmp   _nb_kernel214_ia32_sse.nb214_single_check
_nb_kernel214_ia32_sse.nb214_unroll_loop: 
        ## quad-unroll innerloop here 
        movl  nb214_innerjjnr(%esp),%edx        ## pointer to jjnr[k] 

        movl  (%edx),%eax
        movl  4(%edx),%ebx
        movl  8(%edx),%ecx
        movl  12(%edx),%edx             ## eax-edx=jnr1-4 

        addl $16,nb214_innerjjnr(%esp)             ## advance pointer (unroll 4) 

        movl nb214_pos(%ebp),%esi       ## base of pos[] 

        leal  (%eax,%eax,2),%eax        ## replace jnr with j3 
        leal  (%ebx,%ebx,2),%ebx
        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,nb214_jxO(%esp)
        movaps %xmm1,nb214_jyO(%esp)
        movaps %xmm2,nb214_jzO(%esp)
        movaps %xmm3,nb214_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,nb214_jyH1(%esp)
        movaps %xmm1,nb214_jzH1(%esp)
        movaps %xmm2,nb214_jxH2(%esp)
        movaps %xmm3,nb214_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,nb214_jzH2(%esp)
        movaps %xmm1,nb214_jxM(%esp)
        movaps %xmm2,nb214_jyM(%esp)
        movaps %xmm3,nb214_jzM(%esp)

        ## start calculating pairwise distances
        movaps nb214_ixO(%esp),%xmm0
        movaps nb214_iyO(%esp),%xmm1
        movaps nb214_izO(%esp),%xmm2
        movaps nb214_ixH1(%esp),%xmm3
        movaps nb214_iyH1(%esp),%xmm4
        movaps nb214_izH1(%esp),%xmm5
        subps  nb214_jxO(%esp),%xmm0
        subps  nb214_jyO(%esp),%xmm1
        subps  nb214_jzO(%esp),%xmm2
        subps  nb214_jxH1(%esp),%xmm3
        subps  nb214_jyH1(%esp),%xmm4
        subps  nb214_jzH1(%esp),%xmm5
        movaps %xmm0,nb214_dxOO(%esp)
        movaps %xmm1,nb214_dyOO(%esp)
        movaps %xmm2,nb214_dzOO(%esp)
        mulps  %xmm0,%xmm0
        mulps  %xmm1,%xmm1
        mulps  %xmm2,%xmm2
        movaps %xmm3,nb214_dxH1H1(%esp)
        movaps %xmm4,nb214_dyH1H1(%esp)
        movaps %xmm5,nb214_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,nb214_rsqOO(%esp)
        movaps %xmm3,nb214_rsqH1H1(%esp)

        movaps nb214_ixH1(%esp),%xmm0
        movaps nb214_iyH1(%esp),%xmm1
        movaps nb214_izH1(%esp),%xmm2
        movaps %xmm0,%xmm3
        movaps %xmm1,%xmm4
        movaps %xmm2,%xmm5
        subps  nb214_jxH2(%esp),%xmm0
        subps  nb214_jyH2(%esp),%xmm1
        subps  nb214_jzH2(%esp),%xmm2
        subps  nb214_jxM(%esp),%xmm3
        subps  nb214_jyM(%esp),%xmm4
        subps  nb214_jzM(%esp),%xmm5
        movaps %xmm0,nb214_dxH1H2(%esp)
        movaps %xmm1,nb214_dyH1H2(%esp)
        movaps %xmm2,nb214_dzH1H2(%esp)
        mulps  %xmm0,%xmm0
        mulps  %xmm1,%xmm1
        mulps  %xmm2,%xmm2
        movaps %xmm3,nb214_dxH1M(%esp)
        movaps %xmm4,nb214_dyH1M(%esp)
        movaps %xmm5,nb214_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,nb214_rsqH1H2(%esp)
        movaps %xmm3,nb214_rsqH1M(%esp)

        movaps nb214_ixH2(%esp),%xmm0
        movaps nb214_iyH2(%esp),%xmm1
        movaps nb214_izH2(%esp),%xmm2
        movaps %xmm0,%xmm3
        movaps %xmm1,%xmm4
        movaps %xmm2,%xmm5
        subps  nb214_jxH1(%esp),%xmm0
        subps  nb214_jyH1(%esp),%xmm1
        subps  nb214_jzH1(%esp),%xmm2
        subps  nb214_jxH2(%esp),%xmm3
        subps  nb214_jyH2(%esp),%xmm4
        subps  nb214_jzH2(%esp),%xmm5
        movaps %xmm0,nb214_dxH2H1(%esp)
        movaps %xmm1,nb214_dyH2H1(%esp)
        movaps %xmm2,nb214_dzH2H1(%esp)
        mulps  %xmm0,%xmm0
        mulps  %xmm1,%xmm1
        mulps  %xmm2,%xmm2
        movaps %xmm3,nb214_dxH2H2(%esp)
        movaps %xmm4,nb214_dyH2H2(%esp)
        movaps %xmm5,nb214_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,nb214_rsqH2H1(%esp)
        movaps %xmm3,nb214_rsqH2H2(%esp)

        movaps nb214_ixH2(%esp),%xmm0
        movaps nb214_iyH2(%esp),%xmm1
        movaps nb214_izH2(%esp),%xmm2
        movaps nb214_ixM(%esp),%xmm3
        movaps nb214_iyM(%esp),%xmm4
        movaps nb214_izM(%esp),%xmm5
        subps  nb214_jxM(%esp),%xmm0
        subps  nb214_jyM(%esp),%xmm1
        subps  nb214_jzM(%esp),%xmm2
        subps  nb214_jxH1(%esp),%xmm3
        subps  nb214_jyH1(%esp),%xmm4
        subps  nb214_jzH1(%esp),%xmm5
        movaps %xmm0,nb214_dxH2M(%esp)
        movaps %xmm1,nb214_dyH2M(%esp)
        movaps %xmm2,nb214_dzH2M(%esp)
        mulps  %xmm0,%xmm0
        mulps  %xmm1,%xmm1
        mulps  %xmm2,%xmm2
        movaps %xmm3,nb214_dxMH1(%esp)
        movaps %xmm4,nb214_dyMH1(%esp)
        movaps %xmm5,nb214_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,nb214_rsqH2M(%esp)
        movaps %xmm4,nb214_rsqMH1(%esp)

        movaps nb214_ixM(%esp),%xmm0
        movaps nb214_iyM(%esp),%xmm1
        movaps nb214_izM(%esp),%xmm2
        movaps %xmm0,%xmm3
        movaps %xmm1,%xmm4
        movaps %xmm2,%xmm5
        subps  nb214_jxH2(%esp),%xmm0
        subps  nb214_jyH2(%esp),%xmm1
        subps  nb214_jzH2(%esp),%xmm2
        subps  nb214_jxM(%esp),%xmm3
        subps  nb214_jyM(%esp),%xmm4
        subps  nb214_jzM(%esp),%xmm5
        movaps %xmm0,nb214_dxMH2(%esp)
        movaps %xmm1,nb214_dyMH2(%esp)
        movaps %xmm2,nb214_dzMH2(%esp)
        mulps  %xmm0,%xmm0
        mulps  %xmm1,%xmm1
        mulps  %xmm2,%xmm2
        movaps %xmm3,nb214_dxMM(%esp)
        movaps %xmm4,nb214_dyMM(%esp)
        movaps %xmm5,nb214_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,nb214_rsqMH2(%esp)
        movaps %xmm4,nb214_rsqMM(%esp)

        ## start by doing reciprocal for OO
        movaps  nb214_rsqOO(%esp),%xmm7
        rcpps   %xmm7,%xmm2
        movaps  nb214_two(%esp),%xmm1
        mulps   %xmm2,%xmm7
        subps   %xmm7,%xmm1
        mulps   %xmm1,%xmm2 ## rinvsq 
        movaps %xmm2,nb214_rinvsqOO(%esp)

        ## next step is invsqrt - do two at a time.
        rsqrtps nb214_rsqH1H1(%esp),%xmm1
        rsqrtps nb214_rsqH1H2(%esp),%xmm5
        movaps  %xmm1,%xmm2
        movaps  %xmm5,%xmm6
        mulps   %xmm1,%xmm1
        mulps   %xmm5,%xmm5
        movaps  nb214_three(%esp),%xmm3
        movaps  %xmm3,%xmm7
        mulps   nb214_rsqH1H1(%esp),%xmm1
        mulps   nb214_rsqH1H2(%esp),%xmm5
        subps   %xmm1,%xmm3
        subps   %xmm5,%xmm7
        mulps   %xmm2,%xmm3
        mulps   %xmm6,%xmm7
        mulps   nb214_half(%esp),%xmm3   ## rinvH1H1 
        mulps   nb214_half(%esp),%xmm7   ## rinvH1H2 
        movaps  %xmm3,nb214_rinvH1H1(%esp)
        movaps  %xmm7,nb214_rinvH1H2(%esp)

        rsqrtps nb214_rsqH1M(%esp),%xmm1
        rsqrtps nb214_rsqH2H1(%esp),%xmm5
        movaps  %xmm1,%xmm2
        movaps  %xmm5,%xmm6
        mulps   %xmm1,%xmm1
        mulps   %xmm5,%xmm5
        movaps  nb214_three(%esp),%xmm3
        movaps  %xmm3,%xmm7
        mulps   nb214_rsqH1M(%esp),%xmm1
        mulps   nb214_rsqH2H1(%esp),%xmm5
        subps   %xmm1,%xmm3
        subps   %xmm5,%xmm7
        mulps   %xmm2,%xmm3
        mulps   %xmm6,%xmm7
        mulps   nb214_half(%esp),%xmm3
        mulps   nb214_half(%esp),%xmm7
        movaps  %xmm3,nb214_rinvH1M(%esp)
        movaps  %xmm7,nb214_rinvH2H1(%esp)

        rsqrtps nb214_rsqH2H2(%esp),%xmm1
        rsqrtps nb214_rsqH2M(%esp),%xmm5
        movaps  %xmm1,%xmm2
        movaps  %xmm5,%xmm6
        mulps   %xmm1,%xmm1
        mulps   %xmm5,%xmm5
        movaps  nb214_three(%esp),%xmm3
        movaps  %xmm3,%xmm7
        mulps   nb214_rsqH2H2(%esp),%xmm1
        mulps   nb214_rsqH2M(%esp),%xmm5
        subps   %xmm1,%xmm3
        subps   %xmm5,%xmm7
        mulps   %xmm2,%xmm3
        mulps   %xmm6,%xmm7
        mulps   nb214_half(%esp),%xmm3
        mulps   nb214_half(%esp),%xmm7
        movaps  %xmm3,nb214_rinvH2H2(%esp)
        movaps  %xmm7,nb214_rinvH2M(%esp)

        rsqrtps nb214_rsqMH1(%esp),%xmm1
        rsqrtps nb214_rsqMH2(%esp),%xmm5
        movaps  %xmm1,%xmm2
        movaps  %xmm5,%xmm6
        mulps   %xmm1,%xmm1
        mulps   %xmm5,%xmm5
        movaps  nb214_three(%esp),%xmm3
        movaps  %xmm3,%xmm7
        mulps   nb214_rsqMH1(%esp),%xmm1
        mulps   nb214_rsqMH2(%esp),%xmm5
        subps   %xmm1,%xmm3
        subps   %xmm5,%xmm7
        mulps   %xmm2,%xmm3
        mulps   %xmm6,%xmm7
        mulps   nb214_half(%esp),%xmm3
        mulps   nb214_half(%esp),%xmm7
        movaps  %xmm3,nb214_rinvMH1(%esp)
        movaps  %xmm7,nb214_rinvMH2(%esp)

        rsqrtps nb214_rsqMM(%esp),%xmm1
        movaps  %xmm1,%xmm2
        mulps   %xmm1,%xmm1
        movaps  nb214_three(%esp),%xmm3
        mulps   nb214_rsqMM(%esp),%xmm1
        subps   %xmm1,%xmm3
        mulps   %xmm2,%xmm3
        mulps   nb214_half(%esp),%xmm3
        movaps  %xmm3,nb214_rinvMM(%esp)

        ## start with OO LJ interaction
        movaps nb214_rinvsqOO(%esp),%xmm0
        movaps %xmm0,%xmm1
        mulps  %xmm1,%xmm1      ## rinv4
        mulps  %xmm0,%xmm1      ## xmm1=rinvsix 
        movaps %xmm1,%xmm2
        mulps  %xmm2,%xmm2      ## xmm2=rinvtwelve 
        mulps  nb214_c6(%esp),%xmm1
        mulps  nb214_c12(%esp),%xmm2
        movaps %xmm2,%xmm4
        subps  %xmm1,%xmm4
        addps  nb214_Vvdwtot(%esp),%xmm4
        mulps  nb214_six(%esp),%xmm1
        mulps  nb214_twelve(%esp),%xmm2
        movaps %xmm4,nb214_Vvdwtot(%esp)
        subps  %xmm1,%xmm2
        mulps  %xmm2,%xmm0      ## fscal 
        movaps %xmm0,%xmm1
        movaps %xmm0,%xmm2

        xorps %xmm3,%xmm3
        movaps %xmm3,%xmm4
        movaps %xmm3,%xmm5
        mulps nb214_dxOO(%esp),%xmm0
        mulps nb214_dyOO(%esp),%xmm1
        mulps nb214_dzOO(%esp),%xmm2
        subps %xmm0,%xmm3
        subps %xmm1,%xmm4
        subps %xmm2,%xmm5
        addps nb214_fixO(%esp),%xmm0
        addps nb214_fiyO(%esp),%xmm1
        addps nb214_fizO(%esp),%xmm2
        movaps %xmm3,nb214_fjxO(%esp)
        movaps %xmm4,nb214_fjyO(%esp)
        movaps %xmm5,nb214_fjzO(%esp)
        movaps %xmm0,nb214_fixO(%esp)
        movaps %xmm1,nb214_fiyO(%esp)
        movaps %xmm2,nb214_fizO(%esp)

        ## Coulomb interactions 
        ## start with H1-H1 interaction 
        movaps nb214_rinvH1H1(%esp),%xmm0
        movaps %xmm0,%xmm7      ## xmm7=rinv 
        movaps nb214_krf(%esp),%xmm5
        mulps  %xmm0,%xmm0      ## xmm0=rinvsq 

        mulps  nb214_rsqH1H1(%esp),%xmm5   ## xmm5=krsq