nb_kernel334_ia32_sse.s
来自「最著名最快的分子模拟软件」· S 代码 · 共 2,029 行 · 第 1/5 页
S
2,029 行
movhps 32(%esi,%edx,4),%xmm7 ## got half table movaps %xmm5,%xmm4 shufps $136,%xmm7,%xmm4 ## 10001000 shufps $221,%xmm7,%xmm5 ## 11011101 movlps 40(%esi,%eax,4),%xmm7 movlps 40(%esi,%ecx,4),%xmm3 movhps 40(%esi,%ebx,4),%xmm7 movhps 40(%esi,%edx,4),%xmm3 ## other half of table movaps %xmm7,%xmm6 shufps $136,%xmm3,%xmm6 ## 10001000 shufps $221,%xmm3,%xmm7 # ## repulsion table YFGH ready in xmm4-xmm7# 11011101 mulps %xmm1,%xmm6 ## xmm6=Geps mulps %xmm2,%xmm7 ## xmm7=Heps2 addps %xmm6,%xmm5 addps %xmm7,%xmm5 ## xmm5=Fp mulps nb334_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 nb334_c12(%esp),%xmm4 mulps %xmm4,%xmm7 ## fijR mulps %xmm4,%xmm5 ## Vvdw12 addps nb334_fstmp(%esp),%xmm7 addps nb334_Vvdwtot(%esp),%xmm5 movaps %xmm5,nb334_Vvdwtot(%esp) xorps %xmm1,%xmm1 mulps nb334_tsc(%esp),%xmm7 mulps %xmm0,%xmm7 subps %xmm7,%xmm1 movaps %xmm1,%xmm0 movaps %xmm1,%xmm2 xorps %xmm3,%xmm3 movaps %xmm3,%xmm4 movaps %xmm3,%xmm5 mulps nb334_dxOO(%esp),%xmm0 mulps nb334_dyOO(%esp),%xmm1 mulps nb334_dzOO(%esp),%xmm2 subps %xmm0,%xmm3 subps %xmm1,%xmm4 subps %xmm2,%xmm5 addps nb334_fixO(%esp),%xmm0 addps nb334_fiyO(%esp),%xmm1 addps nb334_fizO(%esp),%xmm2 movaps %xmm3,nb334_fjxO(%esp) movaps %xmm4,nb334_fjyO(%esp) movaps %xmm5,nb334_fjzO(%esp) movaps %xmm0,nb334_fixO(%esp) movaps %xmm1,nb334_fiyO(%esp) movaps %xmm2,nb334_fizO(%esp) ## Coulomb interactions - first H1H1 movaps nb334_rinvH1H1(%esp),%xmm0 movaps %xmm0,%xmm1 mulps nb334_rsqH1H1(%esp),%xmm1 ## xmm1=r mulps nb334_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 $2,%mm6 pslld $2,%mm7 movl nb334_VFtab(%ebp),%esi movd %mm6,%eax psrlq $32,%mm6 movd %mm7,%ecx psrlq $32,%mm7 movd %mm6,%ebx movd %mm7,%edx leal (%eax,%eax,2),%eax leal (%ebx,%ebx,2),%ebx leal (%ecx,%ecx,2),%ecx leal (%edx,%edx,2),%edx movlps (%esi,%eax,4),%xmm5 movlps (%esi,%ecx,4),%xmm7 movhps (%esi,%ebx,4),%xmm5 movhps (%esi,%edx,4),%xmm7 ## got half coulomb table movaps %xmm5,%xmm4 shufps $136,%xmm7,%xmm4 ## 10001000 shufps $221,%xmm7,%xmm5 ## 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 coulomb table movaps %xmm7,%xmm6 shufps $136,%xmm3,%xmm6 ## 10001000 shufps $221,%xmm3,%xmm7 ## 11011101 ## coulomb table ready, in xmm4-xmm7 mulps %xmm1,%xmm6 ## xmm6=Geps mulps %xmm2,%xmm7 ## xmm7=Heps2 addps %xmm6,%xmm5 addps %xmm7,%xmm5 ## xmm5=Fp mulps nb334_two(%esp),%xmm7 ## two*Heps2 movaps nb334_qqHH(%esp),%xmm3 addps %xmm6,%xmm7 addps %xmm5,%xmm7 ## xmm7=FF mulps %xmm1,%xmm5 ## xmm5=eps*Fp addps %xmm4,%xmm5 ## xmm5=VV mulps %xmm3,%xmm5 ## vcoul=qq*VV mulps %xmm7,%xmm3 ## fijC=FF*qq ## at this point mm5 contains vcoul and mm3 fijC ## update vctot addps nb334_vctot(%esp),%xmm5 movaps %xmm5,nb334_vctot(%esp) xorps %xmm1,%xmm1 mulps nb334_tsc(%esp),%xmm3 mulps %xmm0,%xmm3 subps %xmm3,%xmm1 movaps %xmm1,%xmm0 movaps %xmm1,%xmm2 xorps %xmm3,%xmm3 movaps %xmm3,%xmm4 movaps %xmm3,%xmm5 mulps nb334_dxH1H1(%esp),%xmm0 mulps nb334_dyH1H1(%esp),%xmm1 mulps nb334_dzH1H1(%esp),%xmm2 subps %xmm0,%xmm3 subps %xmm1,%xmm4 subps %xmm2,%xmm5 addps nb334_fixH1(%esp),%xmm0 addps nb334_fiyH1(%esp),%xmm1 addps nb334_fizH1(%esp),%xmm2 movaps %xmm3,nb334_fjxH1(%esp) movaps %xmm4,nb334_fjyH1(%esp) movaps %xmm5,nb334_fjzH1(%esp) movaps %xmm0,nb334_fixH1(%esp) movaps %xmm1,nb334_fiyH1(%esp) movaps %xmm2,nb334_fizH1(%esp) ## H1-H2 interaction movaps nb334_rinvH1H2(%esp),%xmm0 movaps %xmm0,%xmm1 mulps nb334_rsqH1H2(%esp),%xmm1 ## xmm1=r mulps nb334_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 $2,%mm6 pslld $2,%mm7 movd %mm6,%eax psrlq $32,%mm6 movd %mm7,%ecx psrlq $32,%mm7 movd %mm6,%ebx movd %mm7,%edx leal (%eax,%eax,2),%eax leal (%ebx,%ebx,2),%ebx leal (%ecx,%ecx,2),%ecx leal (%edx,%edx,2),%edx movlps (%esi,%eax,4),%xmm5 movlps (%esi,%ecx,4),%xmm7 movhps (%esi,%ebx,4),%xmm5 movhps (%esi,%edx,4),%xmm7 ## got half coulomb table movaps %xmm5,%xmm4 shufps $136,%xmm7,%xmm4 ## 10001000 shufps $221,%xmm7,%xmm5 ## 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 coulomb table movaps %xmm7,%xmm6 shufps $136,%xmm3,%xmm6 ## 10001000 shufps $221,%xmm3,%xmm7 ## 11011101 ## coulomb table ready, in xmm4-xmm7 mulps %xmm1,%xmm6 ## xmm6=Geps mulps %xmm2,%xmm7 ## xmm7=Heps2 addps %xmm6,%xmm5 addps %xmm7,%xmm5 ## xmm5=Fp mulps nb334_two(%esp),%xmm7 ## two*Heps2 movaps nb334_qqHH(%esp),%xmm3 addps %xmm6,%xmm7 addps %xmm5,%xmm7 ## xmm7=FF mulps %xmm1,%xmm5 ## xmm5=eps*Fp addps %xmm4,%xmm5 ## xmm5=VV mulps %xmm3,%xmm5 ## vcoul=qq*VV mulps %xmm7,%xmm3 ## fijC=FF*qq ## at this point mm5 contains vcoul and mm3 fijC addps nb334_vctot(%esp),%xmm5 movaps %xmm5,nb334_vctot(%esp) xorps %xmm1,%xmm1 mulps nb334_tsc(%esp),%xmm3 mulps %xmm0,%xmm3 subps %xmm3,%xmm1 movaps %xmm1,%xmm0 movaps %xmm1,%xmm2 xorps %xmm3,%xmm3 movaps %xmm3,%xmm4 movaps %xmm3,%xmm5 mulps nb334_dxH1H2(%esp),%xmm0 mulps nb334_dyH1H2(%esp),%xmm1 mulps nb334_dzH1H2(%esp),%xmm2 subps %xmm0,%xmm3 subps %xmm1,%xmm4 subps %xmm2,%xmm5 addps nb334_fixH1(%esp),%xmm0 addps nb334_fiyH1(%esp),%xmm1 addps nb334_fizH1(%esp),%xmm2 movaps %xmm3,nb334_fjxH2(%esp) movaps %xmm4,nb334_fjyH2(%esp) movaps %xmm5,nb334_fjzH2(%esp) movaps %xmm0,nb334_fixH1(%esp) movaps %xmm1,nb334_fiyH1(%esp) movaps %xmm2,nb334_fizH1(%esp) ## H1-M interaction movaps nb334_rinvH1M(%esp),%xmm0 movaps %xmm0,%xmm1 mulps nb334_rsqH1M(%esp),%xmm1 ## xmm1=r mulps nb334_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 $2,%mm6 pslld $2,%mm7 movd %mm6,%eax psrlq $32,%mm6 movd %mm7,%ecx psrlq $32,%mm7 movd %mm6,%ebx movd %mm7,%edx leal (%eax,%eax,2),%eax leal (%ebx,%ebx,2),%ebx leal (%ecx,%ecx,2),%ecx leal (%edx,%edx,2),%edx movlps (%esi,%eax,4),%xmm5 movlps (%esi,%ecx,4),%xmm7 movhps (%esi,%ebx,4),%xmm5 movhps (%esi,%edx,4),%xmm7 ## got half coulomb table movaps %xmm5,%xmm4 shufps $136,%xmm7,%xmm4 ## 10001000 shufps $221,%xmm7,%xmm5 ## 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 coulomb table movaps %xmm7,%xmm6 shufps $136,%xmm3,%xmm6 ## 10001000 shufps $221,%xmm3,%xmm7 ## 11011101 ## coulomb table ready, in xmm4-xmm7 mulps %xmm1,%xmm6 ## xmm6=Geps mulps %xmm2,%xmm7 ## xmm7=Heps2 addps %xmm6,%xmm5 addps %xmm7,%xmm5 ## xmm5=Fp mulps nb334_two(%esp),%xmm7 ## two*Heps2 movaps nb334_qqMH(%esp),%xmm3 addps %xmm6,%xmm7 addps %xmm5,%xmm7 ## xmm7=FF mulps %xmm1,%xmm5 ## xmm5=eps*Fp addps %xmm4,%xmm5 ## xmm5=VV mulps %xmm3,%xmm5 ## vcoul=qq*VV mulps %xmm7,%xmm3 ## fijC=FF*qq ## at this point mm5 contains vcoul and mm3 fijC addps nb334_vctot(%esp),%xmm5 movaps %xmm5,nb334_vctot(%esp) xorps %xmm1,%xmm1 mulps nb334_tsc(%esp),%xmm3 mulps %xmm0,%xmm3 subps %xmm3,%xmm1 movaps %xmm1,%xmm0 movaps %xmm1,%xmm2 xorps %xmm3,%xmm3 movaps %xmm3,%xmm4 movaps %xmm3,%xmm5 mulps nb334_dxH1M(%esp),%xmm0 mulps nb334_dyH1M(%esp),%xmm1 mulps nb334_dzH1M(%esp),%xmm2 subps %xmm0,%xmm3 subps %xmm1,%xmm4 subps %xmm2,%xmm5 addps nb334_fixH1(%esp),%xmm0 addps nb334_fiyH1(%esp),%xmm1 addps nb334_fizH1(%esp),%xmm2 movaps %xmm3,nb334_fjxM(%esp) movaps %xmm4,nb334_fjyM(%esp) movaps %xmm5,nb334_fjzM(%esp) movaps %xmm0,nb334_fixH1(%esp) movaps %xmm1,nb334_fiyH1(%esp) movaps %xmm2,nb334_fizH1(%esp) ## H2-H1 interaction movaps nb334_rinvH2H1(%esp),%xmm0 movaps %xmm0,%xmm1 mulps nb334_rsqH2H1(%esp),%xmm1 ## xmm1=r mulps nb334_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 $2,%mm6 pslld $2,%mm7 movd %mm6,%eax psrlq $32,%mm6 movd %mm7,%ecx psrlq $32,%mm7 movd %mm6,%ebx movd %mm7,%edx leal (%eax,%eax,2),%eax leal (%ebx,%ebx,2),%ebx leal (%ecx,%ecx,2),%ecx leal (%edx,%edx,2),%edx movlps (%esi,%eax,4),%xmm5 movlps (%esi,%ecx,4),%xmm7 movhps (%esi,%ebx,4),%xmm5 movhps (%esi,%edx,4),%xmm7 ## got half coulomb table movaps %xmm5,%xmm4 shufps $136,%xmm7,%xmm4 ## 10001000 shufps $221,%xmm7,%xmm5 ## 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 coulomb table movaps %xmm7,%xmm6 shufps $136,%xmm3,%xmm6 ## 10001000 shufps $221,%xmm3,%xmm7 ## 11011101 ## coulomb table ready, in xmm4-xmm7 mulps %xmm1,%xmm6 ## xmm6=Geps mulps %xmm2,%xmm7 ## xmm7=Heps2 addps %xmm6,%xmm5 addps %xmm7,%xmm5 ## xmm5=Fp mulps nb334_two(%esp),%xmm7 ## two*Heps2 movaps nb334_qqHH(%esp),%xmm3 addps %xmm6,%xmm7 addps %xmm5,%xmm7 ## xmm7=FF mulps %xmm1,%xmm5 ## xmm5=eps*Fp addps %xmm4,%xmm5 ## xmm5=VV mulps %xmm3,%xmm5 ## vcoul=qq*VV mulps %xmm7,%xmm3 ## fijC=FF*qq ## at this point mm5 contains vcoul and mm3 fijC addps nb334_vctot(%esp),%xmm5 movaps %xmm5,nb334_vctot(%esp) xorps %xmm1,%xmm1 mulps nb334_tsc(%esp),%xmm3 mulps %xmm0,%xmm3
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