nb_kernel132_ia32_sse.s
来自「最著名最快的分子模拟软件」· S 代码 · 共 2,018 行 · 第 1/5 页
S
2,018 行
## xmm2= jxOa jyOa jxOc jyOc ## xmm3= jxH1a jyH1a jxH1c jyH1c ## 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,nb132_jxO(%esp) movhlps %xmm6,%xmm2 ## xmm2= jyOa jyOb jyOc jyOd movaps %xmm2,nb132_jyO(%esp) movlhps %xmm3,%xmm1 movaps %xmm1,nb132_jxH1(%esp) movhlps %xmm7,%xmm3 movaps %xmm4,%xmm6 movaps %xmm3,nb132_jyH1(%esp) movlhps %xmm5,%xmm4 movaps %xmm4,nb132_jxH2(%esp) movhlps %xmm6,%xmm5 movaps %xmm5,nb132_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,nb132_jzO(%esp) movaps %xmm1,nb132_jzH1(%esp) movaps %xmm2,nb132_jzH2(%esp) movaps nb132_ixO(%esp),%xmm0 movaps nb132_iyO(%esp),%xmm1 movaps nb132_izO(%esp),%xmm2 movaps nb132_ixO(%esp),%xmm3 movaps nb132_iyO(%esp),%xmm4 movaps nb132_izO(%esp),%xmm5 subps nb132_jxO(%esp),%xmm0 subps nb132_jyO(%esp),%xmm1 subps nb132_jzO(%esp),%xmm2 subps nb132_jxH1(%esp),%xmm3 subps nb132_jyH1(%esp),%xmm4 subps nb132_jzH1(%esp),%xmm5 movaps %xmm0,nb132_dxOO(%esp) movaps %xmm1,nb132_dyOO(%esp) movaps %xmm2,nb132_dzOO(%esp) mulps %xmm0,%xmm0 mulps %xmm1,%xmm1 mulps %xmm2,%xmm2 movaps %xmm3,nb132_dxOH1(%esp) movaps %xmm4,nb132_dyOH1(%esp) movaps %xmm5,nb132_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,nb132_rsqOO(%esp) movaps %xmm3,nb132_rsqOH1(%esp) movaps nb132_ixO(%esp),%xmm0 movaps nb132_iyO(%esp),%xmm1 movaps nb132_izO(%esp),%xmm2 movaps nb132_ixH1(%esp),%xmm3 movaps nb132_iyH1(%esp),%xmm4 movaps nb132_izH1(%esp),%xmm5 subps nb132_jxH2(%esp),%xmm0 subps nb132_jyH2(%esp),%xmm1 subps nb132_jzH2(%esp),%xmm2 subps nb132_jxO(%esp),%xmm3 subps nb132_jyO(%esp),%xmm4 subps nb132_jzO(%esp),%xmm5 movaps %xmm0,nb132_dxOH2(%esp) movaps %xmm1,nb132_dyOH2(%esp) movaps %xmm2,nb132_dzOH2(%esp) mulps %xmm0,%xmm0 mulps %xmm1,%xmm1 mulps %xmm2,%xmm2 movaps %xmm3,nb132_dxH1O(%esp) movaps %xmm4,nb132_dyH1O(%esp) movaps %xmm5,nb132_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,nb132_rsqOH2(%esp) movaps %xmm3,nb132_rsqH1O(%esp) movaps nb132_ixH1(%esp),%xmm0 movaps nb132_iyH1(%esp),%xmm1 movaps nb132_izH1(%esp),%xmm2 movaps nb132_ixH1(%esp),%xmm3 movaps nb132_iyH1(%esp),%xmm4 movaps nb132_izH1(%esp),%xmm5 subps nb132_jxH1(%esp),%xmm0 subps nb132_jyH1(%esp),%xmm1 subps nb132_jzH1(%esp),%xmm2 subps nb132_jxH2(%esp),%xmm3 subps nb132_jyH2(%esp),%xmm4 subps nb132_jzH2(%esp),%xmm5 movaps %xmm0,nb132_dxH1H1(%esp) movaps %xmm1,nb132_dyH1H1(%esp) movaps %xmm2,nb132_dzH1H1(%esp) mulps %xmm0,%xmm0 mulps %xmm1,%xmm1 mulps %xmm2,%xmm2 movaps %xmm3,nb132_dxH1H2(%esp) movaps %xmm4,nb132_dyH1H2(%esp) movaps %xmm5,nb132_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,nb132_rsqH1H1(%esp) movaps %xmm3,nb132_rsqH1H2(%esp) movaps nb132_ixH2(%esp),%xmm0 movaps nb132_iyH2(%esp),%xmm1 movaps nb132_izH2(%esp),%xmm2 movaps nb132_ixH2(%esp),%xmm3 movaps nb132_iyH2(%esp),%xmm4 movaps nb132_izH2(%esp),%xmm5 subps nb132_jxO(%esp),%xmm0 subps nb132_jyO(%esp),%xmm1 subps nb132_jzO(%esp),%xmm2 subps nb132_jxH1(%esp),%xmm3 subps nb132_jyH1(%esp),%xmm4 subps nb132_jzH1(%esp),%xmm5 movaps %xmm0,nb132_dxH2O(%esp) movaps %xmm1,nb132_dyH2O(%esp) movaps %xmm2,nb132_dzH2O(%esp) mulps %xmm0,%xmm0 mulps %xmm1,%xmm1 mulps %xmm2,%xmm2 movaps %xmm3,nb132_dxH2H1(%esp) movaps %xmm4,nb132_dyH2H1(%esp) movaps %xmm5,nb132_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,nb132_rsqH2O(%esp) movaps %xmm4,nb132_rsqH2H1(%esp) movaps nb132_ixH2(%esp),%xmm0 movaps nb132_iyH2(%esp),%xmm1 movaps nb132_izH2(%esp),%xmm2 subps nb132_jxH2(%esp),%xmm0 subps nb132_jyH2(%esp),%xmm1 subps nb132_jzH2(%esp),%xmm2 movaps %xmm0,nb132_dxH2H2(%esp) movaps %xmm1,nb132_dyH2H2(%esp) movaps %xmm2,nb132_dzH2H2(%esp) mulps %xmm0,%xmm0 mulps %xmm1,%xmm1 mulps %xmm2,%xmm2 addps %xmm1,%xmm0 addps %xmm2,%xmm0 movaps %xmm0,nb132_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 nb132_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 nb132_half(%esp),%xmm3 ## rinvH2H2 mulps nb132_half(%esp),%xmm7 ## rinvH2H1 movaps %xmm3,nb132_rinvH2H2(%esp) movaps %xmm7,nb132_rinvH2H1(%esp) rsqrtps nb132_rsqOO(%esp),%xmm1 rsqrtps nb132_rsqOH1(%esp),%xmm5 movaps %xmm1,%xmm2 movaps %xmm5,%xmm6 mulps %xmm1,%xmm1 mulps %xmm5,%xmm5 movaps nb132_three(%esp),%xmm3 movaps %xmm3,%xmm7 mulps nb132_rsqOO(%esp),%xmm1 mulps nb132_rsqOH1(%esp),%xmm5 subps %xmm1,%xmm3 subps %xmm5,%xmm7 mulps %xmm2,%xmm3 mulps %xmm6,%xmm7 mulps nb132_half(%esp),%xmm3 mulps nb132_half(%esp),%xmm7 movaps %xmm3,nb132_rinvOO(%esp) movaps %xmm7,nb132_rinvOH1(%esp) rsqrtps nb132_rsqOH2(%esp),%xmm1 rsqrtps nb132_rsqH1O(%esp),%xmm5 movaps %xmm1,%xmm2 movaps %xmm5,%xmm6 mulps %xmm1,%xmm1 mulps %xmm5,%xmm5 movaps nb132_three(%esp),%xmm3 movaps %xmm3,%xmm7 mulps nb132_rsqOH2(%esp),%xmm1 mulps nb132_rsqH1O(%esp),%xmm5 subps %xmm1,%xmm3 subps %xmm5,%xmm7 mulps %xmm2,%xmm3 mulps %xmm6,%xmm7 mulps nb132_half(%esp),%xmm3 mulps nb132_half(%esp),%xmm7 movaps %xmm3,nb132_rinvOH2(%esp) movaps %xmm7,nb132_rinvH1O(%esp) rsqrtps nb132_rsqH1H1(%esp),%xmm1 rsqrtps nb132_rsqH1H2(%esp),%xmm5 movaps %xmm1,%xmm2 movaps %xmm5,%xmm6 mulps %xmm1,%xmm1 mulps %xmm5,%xmm5 movaps nb132_three(%esp),%xmm3 movaps %xmm3,%xmm7 mulps nb132_rsqH1H1(%esp),%xmm1 mulps nb132_rsqH1H2(%esp),%xmm5 subps %xmm1,%xmm3 subps %xmm5,%xmm7 mulps %xmm2,%xmm3 mulps %xmm6,%xmm7 mulps nb132_half(%esp),%xmm3 mulps nb132_half(%esp),%xmm7 movaps %xmm3,nb132_rinvH1H1(%esp) movaps %xmm7,nb132_rinvH1H2(%esp) rsqrtps nb132_rsqH2O(%esp),%xmm1 movaps %xmm1,%xmm2 mulps %xmm1,%xmm1 movaps nb132_three(%esp),%xmm3 mulps nb132_rsqH2O(%esp),%xmm1 subps %xmm1,%xmm3 mulps %xmm2,%xmm3 mulps nb132_half(%esp),%xmm3 movaps %xmm3,nb132_rinvH2O(%esp) ## start with OO interaction - first the table LJ part movaps nb132_rinvOO(%esp),%xmm0 movaps %xmm0,%xmm1 mulps nb132_rsqOO(%esp),%xmm1 ## xmm1=r mulps nb132_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 nb132_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 nb132_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 nb132_c6(%esp),%xmm4 mulps %xmm4,%xmm7 ## fijD mulps %xmm4,%xmm5 ## Vvdw6 movaps %xmm7,nb132_fstmp(%esp) addps nb132_Vvdwtot(%esp),%xmm5 movaps %xmm5,nb132_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 mulps nb132_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 nb132_c12(%esp),%xmm4 mulps %xmm4,%xmm7 ## fijR mulps %xmm4,%xmm5 ## Vvdw12 addps nb132_fstmp(%esp),%xmm7 mulps nb132_tsc(%esp),%xmm7 addps nb132_Vvdwtot(%esp),%xmm5 movaps %xmm5,nb132_Vvdwtot(%esp) movaps nb132_rinvOO(%esp),%xmm0 movaps %xmm0,%xmm6 mulps nb132_qqOO(%esp),%xmm6 movaps %xmm6,%xmm2 addps nb132_vctot(%esp),%xmm6 ## local vctot summation variable mulps %xmm0,%xmm2 subps %xmm7,%xmm2 mulps %xmm0,%xmm2 movaps %xmm2,%xmm0 movaps %xmm2,%xmm1 movd %mm0,%eax movd %mm1,%ebx movd %mm2,%ecx movd %mm3,%edx⌨️ 快捷键说明
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