nb_kernel313_ia32_sse.s
来自「最著名最快的分子模拟软件」· S 代码 · 共 2,088 行 · 第 1/5 页
S
2,088 行
movss 8(%esi,%ebx,4),%xmm0 movss 8(%esi,%edx,4),%xmm1 shufps $0,%xmm0,%xmm2 shufps $0,%xmm1,%xmm6 movaps %xmm4,%xmm0 movaps %xmm4,%xmm1 shufps $136,%xmm6,%xmm2 ## constant 10001000 shufps $136,%xmm5,%xmm0 ## constant 10001000 shufps $221,%xmm5,%xmm1 ## constant 11011101 ## move ixO-izO to xmm4-xmm6 movaps nb313_ixO(%esp),%xmm4 movaps nb313_iyO(%esp),%xmm5 movaps nb313_izO(%esp),%xmm6 ## calc dr subps %xmm0,%xmm4 subps %xmm1,%xmm5 subps %xmm2,%xmm6 ## store dr movaps %xmm4,nb313_dxO(%esp) movaps %xmm5,nb313_dyO(%esp) movaps %xmm6,nb313_dzO(%esp) ## square it mulps %xmm4,%xmm4 mulps %xmm5,%xmm5 mulps %xmm6,%xmm6 addps %xmm5,%xmm4 addps %xmm6,%xmm4 movaps %xmm4,%xmm7 ## rsqO in xmm7 ## move ixH1-izH1 to xmm4-xmm6 movaps nb313_ixH1(%esp),%xmm4 movaps nb313_iyH1(%esp),%xmm5 movaps nb313_izH1(%esp),%xmm6 ## calc dr subps %xmm0,%xmm4 subps %xmm1,%xmm5 subps %xmm2,%xmm6 ## store dr movaps %xmm4,nb313_dxH1(%esp) movaps %xmm5,nb313_dyH1(%esp) movaps %xmm6,nb313_dzH1(%esp) ## square it mulps %xmm4,%xmm4 mulps %xmm5,%xmm5 mulps %xmm6,%xmm6 addps %xmm5,%xmm6 addps %xmm4,%xmm6 ## rsqH1 in xmm6 ## move ixH2-izH2 to xmm3-xmm5 movaps nb313_ixH2(%esp),%xmm3 movaps nb313_iyH2(%esp),%xmm4 movaps nb313_izH2(%esp),%xmm5 ## calc dr subps %xmm0,%xmm3 subps %xmm1,%xmm4 subps %xmm2,%xmm5 ## store dr movaps %xmm3,nb313_dxH2(%esp) movaps %xmm4,nb313_dyH2(%esp) movaps %xmm5,nb313_dzH2(%esp) ## square it mulps %xmm3,%xmm3 mulps %xmm4,%xmm4 mulps %xmm5,%xmm5 addps %xmm4,%xmm5 addps %xmm3,%xmm5 ## move ixM-izM to xmm2-xmm4 movaps nb313_iyM(%esp),%xmm3 movaps nb313_izM(%esp),%xmm4 subps %xmm1,%xmm3 subps %xmm2,%xmm4 movaps nb313_ixM(%esp),%xmm2 subps %xmm0,%xmm2 ## store dr movaps %xmm2,nb313_dxM(%esp) movaps %xmm3,nb313_dyM(%esp) movaps %xmm4,nb313_dzM(%esp) ## square it mulps %xmm2,%xmm2 mulps %xmm3,%xmm3 mulps %xmm4,%xmm4 addps %xmm3,%xmm4 addps %xmm2,%xmm4 ## rsqM in xmm4, rsqH2 in xmm5, rsqH1 in xmm6, rsqO in xmm7 ## rsqH1 - seed in xmm2 rsqrtps %xmm6,%xmm2 movaps %xmm2,%xmm3 mulps %xmm2,%xmm2 movaps nb313_three(%esp),%xmm0 mulps %xmm6,%xmm2 ## rsq*lu*lu subps %xmm2,%xmm0 ## constant 30-rsq*lu*lu mulps %xmm3,%xmm0 ## lu*(3-rsq*lu*lu) mulps nb313_half(%esp),%xmm0 movaps %xmm0,nb313_rinvH1(%esp) ## rinvH1 in xmm4 mulps %xmm0,%xmm6 movaps %xmm6,nb313_rH1(%esp) ## rsqH2 - seed to xmm2 rsqrtps %xmm5,%xmm2 movaps %xmm2,%xmm3 mulps %xmm2,%xmm2 movaps nb313_three(%esp),%xmm0 mulps %xmm5,%xmm2 ## rsq*lu*lu subps %xmm2,%xmm0 ## constant 30-rsq*lu*lu mulps %xmm3,%xmm0 ## lu*(3-rsq*lu*lu) mulps nb313_half(%esp),%xmm0 movaps %xmm0,nb313_rinvH2(%esp) ## rinvH2 in xmm4 mulps %xmm0,%xmm5 movaps %xmm5,nb313_rH2(%esp) ## rsqM - seed to xmm2 rsqrtps %xmm4,%xmm2 movaps %xmm2,%xmm3 mulps %xmm2,%xmm2 movaps nb313_three(%esp),%xmm0 mulps %xmm4,%xmm2 ## rsq*lu*lu subps %xmm2,%xmm0 ## constant 30-rsq*lu*lu mulps %xmm3,%xmm0 ## lu*(3-rsq*lu*lu) mulps nb313_half(%esp),%xmm0 movaps %xmm0,nb313_rinvM(%esp) ## rinvM in xmm5 mulps %xmm0,%xmm4 movaps %xmm4,nb313_rM(%esp) ## Do the O LJ-only interaction directly. rcpps %xmm7,%xmm2 movaps nb313_two(%esp),%xmm1 mulps %xmm2,%xmm7 subps %xmm7,%xmm1 mulps %xmm1,%xmm2 ## rinvsq movaps %xmm2,%xmm0 mulps %xmm2,%xmm0 ## r4 mulps %xmm2,%xmm0 ## r6 movaps %xmm0,%xmm1 mulps %xmm1,%xmm1 ## r12 mulps nb313_c6(%esp),%xmm0 mulps nb313_c12(%esp),%xmm1 movaps %xmm1,%xmm3 subps %xmm0,%xmm3 ## Vvdw12-Vvdw6 addps nb313_Vvdwtot(%esp),%xmm3 movaps %xmm3,nb313_Vvdwtot(%esp) mulps nb313_six(%esp),%xmm0 mulps nb313_twelve(%esp),%xmm1 subps %xmm0,%xmm1 mulps %xmm2,%xmm1 ## fscal movaps nb313_dxO(%esp),%xmm3 movaps nb313_dyO(%esp),%xmm4 movaps nb313_dzO(%esp),%xmm5 mulps %xmm1,%xmm3 mulps %xmm1,%xmm4 mulps %xmm1,%xmm5 ## tx in xmm3-xmm5 ## update O forces movaps nb313_fixO(%esp),%xmm0 movaps nb313_fiyO(%esp),%xmm1 movaps nb313_fizO(%esp),%xmm2 addps %xmm3,%xmm0 addps %xmm4,%xmm1 addps %xmm5,%xmm2 movaps %xmm0,nb313_fixO(%esp) movaps %xmm1,nb313_fiyO(%esp) movaps %xmm2,nb313_fizO(%esp) ## update j forces with water O movaps %xmm3,nb313_fjx(%esp) movaps %xmm4,nb313_fjy(%esp) movaps %xmm5,nb313_fjz(%esp) ## Do H1 interaction movl nb313_VFtab(%ebp),%esi movaps nb313_rH1(%esp),%xmm7 mulps nb313_tsc(%esp),%xmm7 movhlps %xmm7,%xmm4 cvttps2pi %xmm7,%mm6 cvttps2pi %xmm4,%mm7 ## mm6/mm7 contain lu indices cvtpi2ps %mm6,%xmm3 cvtpi2ps %mm7,%xmm4 movlhps %xmm4,%xmm3 subps %xmm3,%xmm7 movaps %xmm7,%xmm1 ## xmm1=eps movaps %xmm1,%xmm2 mulps %xmm2,%xmm2 ## xmm2=eps2 pslld $2,%mm6 pslld $2,%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 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 ## 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 coulomb table movaps %xmm7,%xmm6 shufps $136,%xmm3,%xmm6 ## constant 10001000 shufps $221,%xmm3,%xmm7 ## constant 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 nb313_two(%esp),%xmm7 ## two*Heps2 movaps nb313_qqH(%esp),%xmm0 addps %xmm6,%xmm7 addps %xmm5,%xmm7 ## xmm7=FF mulps %xmm1,%xmm5 ## xmm5=eps*Fp addps %xmm4,%xmm5 ## xmm5=VV mulps %xmm0,%xmm5 ## vcoul=qq*VV mulps %xmm0,%xmm7 ## fijC=FF*qq ## at this point mm5 contains vcoul and xmm7 fijC ## increment vcoul xorps %xmm4,%xmm4 addps nb313_vctot(%esp),%xmm5 mulps nb313_rinvH1(%esp),%xmm7 movaps %xmm5,nb313_vctot(%esp) mulps nb313_tsc(%esp),%xmm7 subps %xmm7,%xmm4 movaps nb313_dxH1(%esp),%xmm0 movaps nb313_dyH1(%esp),%xmm1 movaps nb313_dzH1(%esp),%xmm2 mulps %xmm4,%xmm0 mulps %xmm4,%xmm1 mulps %xmm4,%xmm2 ## update H1 forces movaps nb313_fixH1(%esp),%xmm3 movaps nb313_fiyH1(%esp),%xmm4 movaps nb313_fizH1(%esp),%xmm7 addps %xmm0,%xmm3 addps %xmm1,%xmm4 addps %xmm2,%xmm7 movaps %xmm3,nb313_fixH1(%esp) movaps %xmm4,nb313_fiyH1(%esp) movaps %xmm7,nb313_fizH1(%esp) ## update j forces with water H1 addps nb313_fjx(%esp),%xmm0 addps nb313_fjy(%esp),%xmm1 addps nb313_fjz(%esp),%xmm2 movaps %xmm0,nb313_fjx(%esp) movaps %xmm1,nb313_fjy(%esp) movaps %xmm2,nb313_fjz(%esp) ## Done with H1, do H2 interactions movaps nb313_rH2(%esp),%xmm7 mulps nb313_tsc(%esp),%xmm7 movhlps %xmm7,%xmm4 cvttps2pi %xmm7,%mm6 cvttps2pi %xmm4,%mm7 ## mm6/mm7 contain lu indices cvtpi2ps %mm6,%xmm3 cvtpi2ps %mm7,%xmm4 movlhps %xmm4,%xmm3 subps %xmm3,%xmm7 movaps %xmm7,%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 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 ## shuffle 10001000 shufps $221,%xmm7,%xmm5 ## shuffle 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 ## shuf 10001000 shufps $221,%xmm3,%xmm7 ## shuf 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 nb313_two(%esp),%xmm7 ## two*Heps2 movaps nb313_qqH(%esp),%xmm0 addps %xmm6,%xmm7 addps %xmm5,%xmm7 ## xmm7=FF mulps %xmm1,%xmm5 ## xmm5=eps*Fp addps %xmm4,%xmm5 ## xmm5=VV mulps %xmm0,%xmm5 ## vcoul=qq*VV mulps %xmm0,%xmm7 ## fijC=FF*qq ## at this point mm5 contains vcoul and xmm0 fijC ## increment vcoul xorps %xmm4,%xmm4 addps nb313_vctot(%esp),%xmm5 mulps nb313_rinvH2(%esp),%xmm7 movaps %xmm5,nb313_vctot(%esp) mulps nb313_tsc(%esp),%xmm7 subps %xmm7,%xmm4 movaps nb313_dxH2(%esp),%xmm0 movaps nb313_dyH2(%esp),%xmm1 movaps nb313_dzH2(%esp),%xmm2 mulps %xmm4,%xmm0 mulps %xmm4,%xmm1 mulps %xmm4,%xmm2 movd %mm0,%eax movd %mm1,%ebx movd %mm2,%ecx movd %mm3,%edx ## update H2 forces movaps nb313_fixH2(%esp),%xmm3 movaps nb313_fiyH2(%esp),%xmm4 movaps nb313_fizH2(%esp),%xmm7 addps %xmm0,%xmm3 addps %xmm1,%xmm4 addps %xmm2,%xmm7 movaps %xmm3,nb313_fixH2(%esp) movaps %xmm4,nb313_fiyH2(%esp) movaps %xmm7,nb313_fizH2(%esp) addps nb313_fjx(%esp),%xmm0 addps nb313_fjy(%esp),%xmm1 addps nb313_fjz(%esp),%xmm2 movaps %xmm0,nb313_fjx(%esp) movaps %xmm1,nb313_fjy(%esp) movaps %xmm2,nb313_fjz(%esp) ## Done with H2, do M interactions movaps nb313_rM(%esp),%xmm7 mulps nb313_tsc(%esp),%xmm7 movhlps %xmm7,%xmm4 cvttps2pi %xmm7,%mm6 cvttps2pi %xmm4,%mm7 ## mm6/mm7 contain lu indices cvtpi2ps %mm6,%xmm3 cvtpi2ps %mm7,%xmm4 movlhps %xmm4,%xmm3 subps %xmm3,%xmm7 movaps %xmm7,%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 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 ## 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 coulomb table movaps %xmm7,%xmm6 shufps $136,%xmm3,%xmm6 ## constant 10001000 shufps $221,%xmm3,%xmm7 ## constant 11011101 ## coulomb table ready, in xmm4-xmm7 mulps %xmm1,%xmm6 ## xmm6=Geps mulps %xmm2,%xmm7 ## xmm7=Heps2 addps %xmm6,%xmm5⌨️ 快捷键说明
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