nb_kernel231_ia32_sse.s
来自「最著名最快的分子模拟软件」· S 代码 · 共 2,071 行 · 第 1/5 页
S
2,071 行
movaps %xmm7,nb231_c12(%esp) movl nb231_pos(%ebp),%esi leal (%eax,%eax,2),%eax ## move j coords to xmm0-xmm2 movss (%esi,%eax,4),%xmm0 movss 4(%esi,%eax,4),%xmm1 movss 8(%esi,%eax,4),%xmm2 shufps $0,%xmm0,%xmm0 shufps $0,%xmm1,%xmm1 shufps $0,%xmm2,%xmm2 movss nb231_ixO(%esp),%xmm3 movss nb231_iyO(%esp),%xmm4 movss nb231_izO(%esp),%xmm5 movlps nb231_ixH1(%esp),%xmm6 movlps nb231_ixH2(%esp),%xmm7 unpcklps %xmm7,%xmm6 movlhps %xmm6,%xmm3 movlps nb231_iyH1(%esp),%xmm6 movlps nb231_iyH2(%esp),%xmm7 unpcklps %xmm7,%xmm6 movlhps %xmm6,%xmm4 movlps nb231_izH1(%esp),%xmm6 movlps nb231_izH2(%esp),%xmm7 unpcklps %xmm7,%xmm6 movlhps %xmm6,%xmm5 subps %xmm0,%xmm3 subps %xmm1,%xmm4 subps %xmm2,%xmm5 movaps %xmm3,nb231_dxO(%esp) movaps %xmm4,nb231_dyO(%esp) movaps %xmm5,nb231_dzO(%esp) mulps %xmm3,%xmm3 mulps %xmm4,%xmm4 mulps %xmm5,%xmm5 addps %xmm3,%xmm4 addps %xmm5,%xmm4 ## rsq in xmm4 movaps %xmm4,%xmm0 mulps nb231_krf(%esp),%xmm0 movaps %xmm0,nb231_krsqO(%esp) rsqrtps %xmm4,%xmm5 ## lookup seed in xmm5 movaps %xmm5,%xmm2 mulps %xmm5,%xmm5 movaps nb231_three(%esp),%xmm1 mulps %xmm4,%xmm5 ## rsq*lu*lu movaps nb231_half(%esp),%xmm0 subps %xmm5,%xmm1 ## constant 30-rsq*lu*lu mulps %xmm2,%xmm1 mulps %xmm1,%xmm0 ## xmm0=rinv ## a little trick to avoid NaNs: ## positions 0,2,and 3 are valid, but not 1. ## If it contains NaN it doesnt help to mult by 0, ## So we shuffle it and copy pos 0 to pos1! shufps $224,%xmm0,%xmm0 ## constant 11100000 ## rsq still in xmm4, rinv in xmm0. mulps %xmm0,%xmm4 mulps nb231_tsc(%esp),%xmm4 ## rtab cvttps2pi %xmm4,%mm6 cvtpi2ps %mm6,%xmm6 subss %xmm6,%xmm4 movss %xmm4,%xmm1 ## xmm1=eps movss %xmm1,%xmm2 mulss %xmm2,%xmm2 ## xmm2=eps2 pslld $3,%mm6 movd %eax,%mm0 movl nb231_VFtab(%ebp),%esi movd %mm6,%eax ## dispersion movlps (%esi,%eax,4),%xmm5 movaps %xmm5,%xmm4 shufps $136,%xmm7,%xmm4 ## constant 10001000 shufps $221,%xmm7,%xmm5 ## constant 11011101 movlps 8(%esi,%eax,4),%xmm7 movaps %xmm7,%xmm6 shufps $136,%xmm3,%xmm6 ## constant 10001000 shufps $221,%xmm3,%xmm7 ## constant 11011101 ## dispersion table ready, in xmm4-xmm7 mulss %xmm1,%xmm6 ## xmm6=Geps mulss %xmm2,%xmm7 ## xmm7=Heps2 addss %xmm6,%xmm5 addss %xmm7,%xmm5 ## xmm5=Fp mulss nb231_two(%esp),%xmm7 ## two*Heps2 addss %xmm6,%xmm7 addss %xmm5,%xmm7 ## xmm7=FF mulss %xmm1,%xmm5 ## xmm5=eps*Fp addss %xmm4,%xmm5 ## xmm5=VV movss nb231_c6(%esp),%xmm4 mulss %xmm4,%xmm7 ## fijD mulss %xmm4,%xmm5 ## Vvdw6 mulss nb231_tsc(%esp),%xmm7 ## put scalar force on stack Update Vvdwtot directly addss nb231_Vvdwtot(%esp),%xmm5 movss %xmm7,nb231_fstmp(%esp) movss %xmm5,nb231_Vvdwtot(%esp) ## repulsion movlps 16(%esi,%eax,4),%xmm5 movaps %xmm5,%xmm4 shufps $136,%xmm7,%xmm4 ## constant 10001000 shufps $221,%xmm7,%xmm5 ## constant 11011101 movlps 24(%esi,%eax,4),%xmm7 movaps %xmm7,%xmm6 shufps $136,%xmm3,%xmm6 ## constant 10001000 shufps $221,%xmm3,%xmm7 ## constant 11011101 ## table ready, in xmm4-xmm7 mulss %xmm1,%xmm6 ## xmm6=Geps mulss %xmm2,%xmm7 ## xmm7=Heps2 addss %xmm6,%xmm5 addss %xmm7,%xmm5 ## xmm5=Fp mulss nb231_two(%esp),%xmm7 ## two*Heps2 addss %xmm6,%xmm7 addss %xmm5,%xmm7 ## xmm7=FF mulss %xmm1,%xmm5 ## xmm5=eps*Fp addss %xmm4,%xmm5 ## xmm5=VV movss nb231_c12(%esp),%xmm4 mulss %xmm4,%xmm7 ## fijR mulss %xmm4,%xmm5 ## Vvdw12 mulss nb231_tsc(%esp),%xmm7 addss nb231_fstmp(%esp),%xmm7 movss %xmm7,nb231_fstmp(%esp) addss nb231_Vvdwtot(%esp),%xmm5 movss %xmm5,nb231_Vvdwtot(%esp) movaps %xmm0,%xmm1 ## xmm1=rinv movaps %xmm0,%xmm4 movaps nb231_krsqO(%esp),%xmm3 addps %xmm3,%xmm0 ## xmm0=rinv+ krsq mulps nb231_two(%esp),%xmm3 subps nb231_crf(%esp),%xmm0 ## xmm0=rinv+ krsq-crf subps %xmm3,%xmm1 ## xmm1=rinv-2*krsq mulps nb231_qqO(%esp),%xmm0 ## xmm0=vcoul mulps nb231_qqO(%esp),%xmm1 ## xmm1=coul part of fs mulps %xmm4,%xmm1 subss nb231_fstmp(%esp),%xmm1 mulps %xmm1,%xmm4 addps nb231_vctot(%esp),%xmm0 movaps %xmm0,nb231_vctot(%esp) movaps nb231_dxO(%esp),%xmm0 movaps nb231_dyO(%esp),%xmm1 movaps nb231_dzO(%esp),%xmm2 movd %mm0,%eax mulps %xmm4,%xmm0 mulps %xmm4,%xmm1 mulps %xmm4,%xmm2 ## xmm0-xmm2 contains tx-tz (partial force) movss nb231_fixO(%esp),%xmm3 movss nb231_fiyO(%esp),%xmm4 movss nb231_fizO(%esp),%xmm5 addss %xmm0,%xmm3 addss %xmm1,%xmm4 addss %xmm2,%xmm5 movss %xmm3,nb231_fixO(%esp) movss %xmm4,nb231_fiyO(%esp) movss %xmm5,nb231_fizO(%esp) ## updated the O force now do the H's movaps %xmm0,%xmm3 movaps %xmm1,%xmm4 movaps %xmm2,%xmm5 shufps $230,%xmm3,%xmm3 ## constant 11100110 ;# shift right shufps $230,%xmm4,%xmm4 ## constant 11100110 shufps $230,%xmm5,%xmm5 ## constant 11100110 addss nb231_fixH1(%esp),%xmm3 addss nb231_fiyH1(%esp),%xmm4 addss nb231_fizH1(%esp),%xmm5 movss %xmm3,nb231_fixH1(%esp) movss %xmm4,nb231_fiyH1(%esp) movss %xmm5,nb231_fizH1(%esp) ## updated the H1 force movl nb231_faction(%ebp),%edi shufps $231,%xmm3,%xmm3 ## constant 11100111 ;# shift right shufps $231,%xmm4,%xmm4 ## constant 11100111 shufps $231,%xmm5,%xmm5 ## constant 11100111 addss nb231_fixH2(%esp),%xmm3 addss nb231_fiyH2(%esp),%xmm4 addss nb231_fizH2(%esp),%xmm5 movss %xmm3,nb231_fixH2(%esp) movss %xmm4,nb231_fiyH2(%esp) movss %xmm5,nb231_fizH2(%esp) ## updated the H2 force ## the fj's - start by accumulating the tx/ty/tz force in xmm0, xmm1 xorps %xmm5,%xmm5 movaps %xmm0,%xmm3 movlps (%edi,%eax,4),%xmm6 movss 8(%edi,%eax,4),%xmm7 unpcklps %xmm1,%xmm3 movlhps %xmm5,%xmm3 unpckhps %xmm1,%xmm0 addps %xmm3,%xmm0 movhlps %xmm0,%xmm3 addps %xmm3,%xmm0 ## x,y sum in xmm0 movhlps %xmm2,%xmm1 addss %xmm1,%xmm2 shufps $1,%xmm1,%xmm1 addss %xmm1,%xmm2 ## z sum in xmm2 subps %xmm0,%xmm6 subss %xmm2,%xmm7 movlps %xmm6,(%edi,%eax,4) movss %xmm7,8(%edi,%eax,4) decl nb231_innerk(%esp) jz _nb_kernel231_ia32_sse.nb231_updateouterdata jmp _nb_kernel231_ia32_sse.nb231_odd_loop_nb_kernel231_ia32_sse.nb231_updateouterdata: movl nb231_ii3(%esp),%ecx movl nb231_faction(%ebp),%edi movl nb231_fshift(%ebp),%esi movl nb231_is3(%esp),%edx ## accumulate Oi forces in xmm0, xmm1, xmm2 movaps nb231_fixO(%esp),%xmm0 movaps nb231_fiyO(%esp),%xmm1 movaps nb231_fizO(%esp),%xmm2 movhlps %xmm0,%xmm3 movhlps %xmm1,%xmm4 movhlps %xmm2,%xmm5 addps %xmm3,%xmm0 addps %xmm4,%xmm1 addps %xmm5,%xmm2 ## sum is in 1/2 in xmm0-xmm2 movaps %xmm0,%xmm3 movaps %xmm1,%xmm4 movaps %xmm2,%xmm5 shufps $1,%xmm3,%xmm3 shufps $1,%xmm4,%xmm4 shufps $1,%xmm5,%xmm5 addss %xmm3,%xmm0 addss %xmm4,%xmm1 addss %xmm5,%xmm2 ## xmm0-xmm2 has single force in pos0 ## increment i force movss (%edi,%ecx,4),%xmm3 movss 4(%edi,%ecx,4),%xmm4 movss 8(%edi,%ecx,4),%xmm5 addss %xmm0,%xmm3 addss %xmm1,%xmm4 addss %xmm2,%xmm5 movss %xmm3,(%edi,%ecx,4) movss %xmm4,4(%edi,%ecx,4) movss %xmm5,8(%edi,%ecx,4) ## accumulate force in xmm6/xmm7 for fshift movaps %xmm0,%xmm6 movss %xmm2,%xmm7 movlhps %xmm1,%xmm6 shufps $8,%xmm6,%xmm6 ## constant 00001000 ## accumulate H1i forces in xmm0, xmm1, xmm2 movaps nb231_fixH1(%esp),%xmm0 movaps nb231_fiyH1(%esp),%xmm1 movaps nb231_fizH1(%esp),%xmm2 movhlps %xmm0,%xmm3 movhlps %xmm1,%xmm4 movhlps %xmm2,%xmm5 addps %xmm3,%xmm0 addps %xmm4,%xmm1 addps %xmm5,%xmm2 ## sum is in 1/2 in xmm0-xmm2 movaps %xmm0,%xmm3 movaps %xmm1,%xmm4 movaps %xmm2,%xmm5 shufps $1,%xmm3,%xmm3 shufps $1,%xmm4,%xmm4 shufps $1,%xmm5,%xmm5 addss %xmm3,%xmm0 addss %xmm4,%xmm1 addss %xmm5,%xmm2 ## xmm0-xmm2 has single force in pos0 ## increment i force movss 12(%edi,%ecx,4),%xmm3 movss 16(%edi,%ecx,4),%xmm4 movss 20(%edi,%ecx,4),%xmm5 addss %xmm0,%xmm3 addss %xmm1,%xmm4 addss %xmm2,%xmm5 movss %xmm3,12(%edi,%ecx,4) movss %xmm4,16(%edi,%ecx,4) movss %xmm5,20(%edi,%ecx,4) ## accumulate force in xmm6/xmm7 for fshift addss %xmm2,%xmm7 movlhps %xmm1,%xmm0 shufps $8,%xmm0,%xmm0 ## constant 00001000 addps %xmm0,%xmm6 ## accumulate H2i forces in xmm0, xmm1, xmm2 movaps nb231_fixH2(%esp),%xmm0 movaps nb231_fiyH2(%esp),%xmm1 movaps nb231_fizH2(%esp),%xmm2 movhlps %xmm0,%xmm3 movhlps %xmm1,%xmm4 movhlps %xmm2,%xmm5 addps %xmm3,%xmm0 addps %xmm4,%xmm1 addps %xmm5,%xmm2 ## sum is in 1/2 in xmm0-xmm2 movaps %xmm0,%xmm3 movaps %xmm1,%xmm4 movaps %xmm2,%xmm5 shufps $1,%xmm3,%xmm3 shufps $1,%xmm4,%xmm4 shufps $1,%xmm5,%xmm5 addss %xmm3,%xmm0 addss %xmm4,%xmm1 addss %xmm5,%xmm2 ## xmm0-xmm2 has single force in pos0 ## increment i force movss 24(%edi,%ecx,4),%xmm3 movss 28(%edi,%ecx,4),%xmm4 movss 32(%edi,%ecx,4),%xmm5 addss %xmm0,%xmm3 addss %xmm1,%xmm4 addss %xmm2,%xmm5 movss %xmm3,24(%edi,%ecx,4) movss %xmm4,28(%edi,%ecx,4) movss %xmm5,32(%edi,%ecx,4) ## accumulate force in xmm6/xmm7 for fshift addss %xmm2,%xmm7 movlhps %xmm1,%xmm0 shufps $8,%xmm0,%xmm0 ## constant 00001000 addps %xmm0,%xmm6 ## increment fshift force movlps (%esi,%edx,4),%xmm3 movss 8(%esi,%edx,4),%xmm4 addps %xmm6,%xmm3 addss %xmm7,%xmm4 movlps %xmm3,(%esi,%edx,4) movss %xmm4,8(%esi,%edx,4) ## get n from stack movl nb231_n(%esp),%esi ## get group index for i particle movl nb231_gid(%ebp),%edx ## base of gid[] movl (%edx,%esi,4),%edx ## ggid=gid[n] ## accumulate total potential energy and update it movaps nb231_vctot(%esp),%xmm7 ## accumulate movhlps %xmm7,%xmm6 addps %xmm6,%xmm7 ## pos 0-1 in xmm7 have the sum now movaps %xmm7,%xmm6 shufps $1,%xmm6,%xmm6 addss %xmm6,%xmm7 ## add earlier value from mem movl nb231_Vc(%ebp),%eax addss (%eax,%edx,4),%xmm7 ## move back to mem movss %xmm7,(%eax,%edx,4) ## accumulate total lj energy and update it movaps nb231_Vvdwtot(%esp),%xmm7 ## accumulate movhlps %xmm7,%xmm6 addps %xmm6,%xmm7 ## pos 0-1 in xmm7 have the sum now movaps %xmm7,%xmm6 shufps $1,%xmm6,%xmm6 addss %xmm6,%xmm7 ## add earlier value from mem movl nb231_Vvdw(%ebp),%eax addss (%eax,%edx,4),%xmm7 ## move back to mem movss %xmm7,(%eax,%edx,4) ## finish if last movl nb231_nn1(%esp),%ecx ## esi already loaded with n incl %esi subl %esi,%ecx jz _nb_kernel231_ia32_sse.nb231_outerend ## not last, iterate outer loop once more! movl %esi,nb231_n(%esp) jmp _nb_kernel231_ia32_sse.nb231_outer_nb_kernel231_ia32_sse.nb231_outerend: ## check if more outer neighborlists remain movl nb231_nri(%esp),%ecx ## esi already loaded with n above subl %esi,%ecx⌨️ 快捷键说明
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