nb_kernel234_ia32_sse.s
来自「最著名最快的分子模拟软件」· S 代码 · 共 1,980 行 · 第 1/5 页
S
1,980 行
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 nb234_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 nb234_c6(%esp),%xmm4 mulps %xmm4,%xmm7 ## fijD mulps %xmm4,%xmm5 ## Vvdw6 movaps %xmm7,nb234_fstmp(%esp) addps nb234_Vvdwtot(%esp),%xmm5 movaps %xmm5,nb234_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 nb234_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 nb234_c12(%esp),%xmm4 mulps %xmm4,%xmm7 ## fijR mulps %xmm4,%xmm5 ## Vvdw12 addps nb234_fstmp(%esp),%xmm7 mulps nb234_tsc(%esp),%xmm7 addps nb234_Vvdwtot(%esp),%xmm5 movaps %xmm5,nb234_Vvdwtot(%esp) xorps %xmm2,%xmm2 mulps %xmm0,%xmm7 subps %xmm7,%xmm2 movaps %xmm2,%xmm0 movaps %xmm2,%xmm1 movd %mm0,%eax movd %mm1,%ebx movd %mm2,%ecx movd %mm3,%edx xorps %xmm3,%xmm3 movaps %xmm3,%xmm4 movaps %xmm3,%xmm5 mulps nb234_dxOO(%esp),%xmm0 mulps nb234_dyOO(%esp),%xmm1 mulps nb234_dzOO(%esp),%xmm2 subps %xmm0,%xmm3 subps %xmm1,%xmm4 subps %xmm2,%xmm5 addps nb234_fixO(%esp),%xmm0 addps nb234_fiyO(%esp),%xmm1 addps nb234_fizO(%esp),%xmm2 movaps %xmm3,nb234_fjxO(%esp) movaps %xmm4,nb234_fjyO(%esp) movaps %xmm5,nb234_fjzO(%esp) movaps %xmm0,nb234_fixO(%esp) movaps %xmm1,nb234_fiyO(%esp) movaps %xmm2,nb234_fizO(%esp) ## Coulomb interactions ## start with H1-H1 interaction movaps nb234_rinvH1H1(%esp),%xmm0 movaps %xmm0,%xmm7 ## xmm7=rinv movaps nb234_krf(%esp),%xmm5 mulps %xmm0,%xmm0 ## xmm0=rinvsq mulps nb234_rsqH1H1(%esp),%xmm5 ## xmm5=krsq movaps %xmm5,%xmm6 addps %xmm7,%xmm6 ## xmm6=rinv+ krsq subps nb234_crf(%esp),%xmm6 mulps nb234_qqHH(%esp),%xmm6 ## xmm6=voul=qq*(rinv+ krsq-crf) mulps nb234_two(%esp),%xmm5 subps %xmm5,%xmm7 ## xmm7=rinv-2*krsq mulps nb234_qqHH(%esp),%xmm7 ## xmm7 = coul part of fscal addps nb234_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 nb234_dxH1H1(%esp),%xmm0 mulps nb234_dyH1H1(%esp),%xmm1 mulps nb234_dzH1H1(%esp),%xmm2 subps %xmm0,%xmm3 subps %xmm1,%xmm4 subps %xmm2,%xmm5 addps nb234_fixH1(%esp),%xmm0 addps nb234_fiyH1(%esp),%xmm1 addps nb234_fizH1(%esp),%xmm2 movaps %xmm3,nb234_fjxH1(%esp) movaps %xmm4,nb234_fjyH1(%esp) movaps %xmm5,nb234_fjzH1(%esp) movaps %xmm0,nb234_fixH1(%esp) movaps %xmm1,nb234_fiyH1(%esp) movaps %xmm2,nb234_fizH1(%esp) ## H1-H2 interaction movaps nb234_rinvH1H2(%esp),%xmm0 movaps %xmm0,%xmm7 ## xmm7=rinv movaps nb234_krf(%esp),%xmm5 movaps %xmm0,%xmm1 mulps nb234_rsqH1H2(%esp),%xmm5 ## xmm5=krsq movaps %xmm5,%xmm4 addps %xmm7,%xmm4 ## xmm4=r inv+ krsq subps nb234_crf(%esp),%xmm4 mulps %xmm0,%xmm0 mulps nb234_qqHH(%esp),%xmm4 ## xmm4=voul=qq*(rinv+ krsq-crf) mulps nb234_two(%esp),%xmm5 subps %xmm5,%xmm7 ## xmm7=rinv-2*krsq mulps nb234_qqHH(%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 nb234_dxH1H2(%esp),%xmm0 mulps nb234_dyH1H2(%esp),%xmm1 mulps nb234_dzH1H2(%esp),%xmm2 subps %xmm0,%xmm3 subps %xmm1,%xmm4 subps %xmm2,%xmm5 addps nb234_fixH1(%esp),%xmm0 addps nb234_fiyH1(%esp),%xmm1 addps nb234_fizH1(%esp),%xmm2 movaps %xmm3,nb234_fjxH2(%esp) movaps %xmm4,nb234_fjyH2(%esp) movaps %xmm5,nb234_fjzH2(%esp) movaps %xmm0,nb234_fixH1(%esp) movaps %xmm1,nb234_fiyH1(%esp) movaps %xmm2,nb234_fizH1(%esp) ## H1-M interaction movaps nb234_rinvH1M(%esp),%xmm0 movaps %xmm0,%xmm7 ## xmm7=Rinv movaps nb234_krf(%esp),%xmm5 movaps %xmm0,%xmm1 mulps nb234_rsqH1M(%esp),%xmm5 ## xmm5=krsq movaps %xmm5,%xmm4 addps %xmm7,%xmm4 ## xmm4=r inv+ krsq subps nb234_crf(%esp),%xmm4 mulps %xmm0,%xmm0 mulps nb234_qqMH(%esp),%xmm4 ## xmm4=voul=qq*(rinv+ krsq-crf) mulps nb234_two(%esp),%xmm5 subps %xmm5,%xmm7 ## xmm7=rinv-2*krsq mulps nb234_qqMH(%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 nb234_dxH1M(%esp),%xmm0 mulps nb234_dyH1M(%esp),%xmm1 mulps nb234_dzH1M(%esp),%xmm2 subps %xmm0,%xmm3 subps %xmm1,%xmm4 subps %xmm2,%xmm5 addps nb234_fixH1(%esp),%xmm0 addps nb234_fiyH1(%esp),%xmm1 addps nb234_fizH1(%esp),%xmm2 movaps %xmm3,nb234_fjxM(%esp) movaps %xmm4,nb234_fjyM(%esp) movaps %xmm5,nb234_fjzM(%esp) movaps %xmm0,nb234_fixH1(%esp) movaps %xmm1,nb234_fiyH1(%esp) movaps %xmm2,nb234_fizH1(%esp) ## H2-H1 interaction movaps nb234_rinvH2H1(%esp),%xmm0 movaps %xmm0,%xmm7 ## xmm7=rinv movaps nb234_krf(%esp),%xmm5 movaps %xmm0,%xmm1 mulps nb234_rsqH2H1(%esp),%xmm5 ## xmm5=krsq movaps %xmm5,%xmm4 addps %xmm7,%xmm4 ## xmm4=r inv+ krsq subps nb234_crf(%esp),%xmm4 mulps %xmm0,%xmm0 mulps nb234_qqHH(%esp),%xmm4 ## xmm4=voul=qq*(rinv+ krsq-crf) mulps nb234_two(%esp),%xmm5 subps %xmm5,%xmm7 ## xmm7=rinv-2*krsq mulps nb234_qqHH(%esp),%xmm7 ## xmm7 = coul part of fscal addps %xmm4,%xmm6 ## add to local vctot mulps %xmm7,%xmm0 ## fsOH2 movaps %xmm0,%xmm1 movaps %xmm0,%xmm2 movaps nb234_fjxH1(%esp),%xmm3 movaps nb234_fjyH1(%esp),%xmm4 movaps nb234_fjzH1(%esp),%xmm5 mulps nb234_dxH2H1(%esp),%xmm0 mulps nb234_dyH2H1(%esp),%xmm1 mulps nb234_dzH2H1(%esp),%xmm2 subps %xmm0,%xmm3 subps %xmm1,%xmm4 subps %xmm2,%xmm5 addps nb234_fixH2(%esp),%xmm0 addps nb234_fiyH2(%esp),%xmm1 addps nb234_fizH2(%esp),%xmm2 movaps %xmm3,nb234_fjxH1(%esp) movaps %xmm4,nb234_fjyH1(%esp) movaps %xmm5,nb234_fjzH1(%esp) movaps %xmm0,nb234_fixH2(%esp) movaps %xmm1,nb234_fiyH2(%esp) movaps %xmm2,nb234_fizH2(%esp) ## H2-H2 interaction movaps nb234_rinvH2H2(%esp),%xmm0 movaps %xmm0,%xmm7 ## xmm7=rinv movaps nb234_krf(%esp),%xmm5 movaps %xmm0,%xmm1 mulps nb234_rsqH2H2(%esp),%xmm5 ## xmm5=krsq movaps %xmm5,%xmm4 addps %xmm7,%xmm4 ## xmm4=r inv+ krsq subps nb234_crf(%esp),%xmm4 mulps %xmm0,%xmm0 mulps nb234_qqHH(%esp),%xmm4 ## xmm4=voul=qq*(rinv+ krsq-crf) mulps nb234_two(%esp),%xmm5 subps %xmm5,%xmm7 ## xmm7=rinv-2*krsq mulps nb234_qqHH(%esp),%xmm7 ## xmm7 = coul part of fscal addps %xmm4,%xmm6 ## add to local vctot mulps %xmm7,%xmm0 ## fsOH2 movaps %xmm0,%xmm1 movaps %xmm0,%xmm2 movaps nb234_fjxH2(%esp),%xmm3 movaps nb234_fjyH2(%esp),%xmm4 movaps nb234_fjzH2(%esp),%xmm5 mulps nb234_dxH2H2(%esp),%xmm0 mulps nb234_dyH2H2(%esp),%xmm1 mulps nb234_dzH2H2(%esp),%xmm2 subps %xmm0,%xmm3 subps %xmm1,%xmm4 subps %xmm2,%xmm5 addps nb234_fixH2(%esp),%xmm0 addps nb234_fiyH2(%esp),%xmm1 addps nb234_fizH2(%esp),%xmm2 movaps %xmm3,nb234_fjxH2(%esp) movaps %xmm4,nb234_fjyH2(%esp) movaps %xmm5,nb234_fjzH2(%esp) movaps %xmm0,nb234_fixH2(%esp) movaps %xmm1,nb234_fiyH2(%esp) movaps %xmm2,nb234_fizH2(%esp) ## H2-M interaction movaps nb234_rinvH2M(%esp),%xmm0 movaps %xmm0,%xmm7 ## xmm7=rinv movaps nb234_krf(%esp),%xmm5 movaps %xmm0,%xmm1 mulps nb234_rsqH2M(%esp),%xmm5 ## xmm5=krsq movaps %xmm5,%xmm4 addps %xmm7,%xmm4 ## xmm4=r inv+ krsq subps nb234_crf(%esp),%xmm4 mulps %xmm0,%xmm0 mulps nb234_qqMH(%esp),%xmm4 ## xmm4=voul=qq*(rinv+ krsq-crf) mulps nb234_two(%esp),%xmm5 subps %xmm5,%xmm7 ## xmm7=rinv-2*krsq mulps nb234_qqMH(%esp),%xmm7 ## xmm7 = coul part of fscal addps %xmm4,%xmm6 ## add to local vctot mulps %xmm7,%xmm0 ## fsOH2 movaps %xmm0,%xmm1 movaps %xmm0,%xmm2 movaps nb234_fjxM(%esp),%xmm3 movaps nb234_fjyM(%esp),%xmm4 movaps nb234_fjzM(%esp),%xmm5 mulps nb234_dxH2M(%esp),%xmm0 mulps nb234_dyH2M(%esp),%xmm1 mulps nb234_dzH2M(%esp),%xmm2 subps %xmm0,%xmm3 subps %xmm1,%xmm4 subps %xmm2,%xmm5 addps nb234_fixH2(%esp),%xmm0 addps nb234_fiyH2(%esp),%xmm1 addps nb234_fizH2(%esp),%xmm2 movaps %xmm3,nb234_fjxM(%esp) movaps %xmm4,nb234_fjyM(%esp) movaps %xmm5,nb234_fjzM(%esp) movaps %xmm0,nb234_fixH2(%esp) movaps %xmm1,nb234_fiyH2(%esp) movaps %xmm2,nb234_fizH2(%esp) ## M-H1 interaction movaps nb234_rinvMH1(%esp),%xmm0 movaps %xmm0,%xmm7 ## xmm7=rinv movaps nb234_krf(%esp),%xmm5 movaps %xmm0,%xmm1 mulps nb234_rsqMH1(%esp),%xmm5 ## xmm5=krsq movaps %xmm5,%xmm4 addps %xmm7,%xmm4 ## xmm4=r inv+ krsq subps nb234_crf(%esp),%xmm4 mulps %xmm0,%xmm0 mulps nb234_qqMH(%esp),%xmm4 ## xmm4=voul=qq*(rinv+ krsq-crf) mulps nb234_two(%esp),%xmm5 subps %xmm5,%xmm7 ## xmm7=rinv-2*krsq mulps nb234_qqMH(%esp),%xmm7 ## xmm7 = coul part of fscal addps %xmm4,%xmm6 ## add to local vctot mulps %xmm7,%xmm0 ## fsOH2 movaps %xmm0,%xmm1 movaps %xmm0,%xmm2 movaps nb234_fjxH1(%esp),%xmm3 movaps nb234_fjyH1(%esp),%xmm4 movaps nb234_fjzH1(%esp),%xmm5 mulps nb234_dxMH1(%esp),%xmm0 mulps nb234_dyMH1(%esp),%xmm1 mulps nb234_dzMH1(%esp),%xmm2 subps %xmm0,%xmm3 subps %xmm1,%xmm4 subps %xmm2,%xmm5 addps nb234_fixM(%esp),%xmm0 addps nb234_fiyM(%esp),%xmm1 addps nb234_fizM(%esp),%xmm2 movaps %xmm3,nb234_fjxH1(%esp) movaps %xmm4,nb234_fjyH1(%esp) movaps %xmm5,nb234_fjzH1(%esp) movaps %xmm0,nb234_fixM(%esp) movaps %xmm1,nb234_fiyM(%esp) movaps %xmm2,nb234_fizM(%esp) ## M-H2 interaction movaps nb234_rinvMH2(%esp),%xmm0 movaps %xmm0,%xmm7 ## xmm7=rinv movaps nb234_krf(%esp),%xmm5 movaps %xmm0,%xmm1 mulps nb234_rsqMH2(%esp),%xmm5 ## xmm5=krsq movaps %xmm5,%xmm4 addps %xmm7,%xmm4 ## xmm4=r inv+ krsq subps nb234_crf(%esp),%xmm4 mulps %xmm0,%xmm0 mulps nb234_qqMH(%esp),%xmm4 ## xmm4=voul=qq*(rinv+ krsq-crf) mulps nb234_two(%esp),%xmm5 subps %xmm5,%xmm7 ## xmm7=rinv-2*krsq mulps nb234_qqMH(%esp),%xmm7 ## xmm7 = coul part of fscal addps %xmm4,%xmm6 ## add to local vctot mulps %xmm7,%xmm0 ## fsOH2 movaps %xmm0,%xmm1 movaps %xmm0,%xmm2 movaps nb234_fjxH2(%esp),%xmm3 movaps nb234_fjyH2(%esp),%xmm4 movaps nb234_fjzH2(%esp),%xmm5 mulps nb234_dxMH2(%esp),%xmm0 mulps nb234_dyMH2(%esp),%xmm1 mulps nb234_dzMH2(%esp),%xmm2 subps %xmm0,%xmm3 subps %xmm1,%xmm4 subps %xmm2,%xmm5 addps nb234_fixM(%esp),%xmm0 addps nb234_fiyM(%esp),%xmm1 addps nb234_fizM(%esp),%xmm2 movaps %xmm3,nb234_fjxH2(%esp) movaps %xmm4,nb234_fjyH2(%esp) movaps %xmm5,nb234_fjzH2(%esp) movaps %xmm0,nb234_fixM(%esp) movaps %xmm1,nb234_fiyM(%esp)
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