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
movaps nb132_iyO(%esp),%xmm1 movaps nb132_izO(%esp),%xmm2 movlhps %xmm6,%xmm3 ## xmm3 = jxO 0 jxH1 jxH2 shufps $228,%xmm6,%xmm4 ## constant 11100100 ;# xmm4 = jyO 0 jyH1 jyH2 shufps $68,%xmm7,%xmm5 ## constant 01000100 ;# xmm5 = jzO 0 jzH1 jzH2 ## store all j coordinates in jO movaps %xmm3,nb132_jxO(%esp) movaps %xmm4,nb132_jyO(%esp) movaps %xmm5,nb132_jzO(%esp) subps %xmm3,%xmm0 subps %xmm4,%xmm1 subps %xmm5,%xmm2 movaps %xmm0,nb132_dxOO(%esp) movaps %xmm1,nb132_dyOO(%esp) movaps %xmm2,nb132_dzOO(%esp) mulps %xmm0,%xmm0 mulps %xmm1,%xmm1 mulps %xmm2,%xmm2 addps %xmm1,%xmm0 addps %xmm2,%xmm0 ## have rsq in xmm0 movaps %xmm0,nb132_rsqOO(%esp) movaps %xmm0,%xmm6 ## do invsqrt rsqrtps %xmm0,%xmm1 movaps %xmm1,%xmm2 mulps %xmm1,%xmm1 movaps nb132_three(%esp),%xmm3 mulps %xmm0,%xmm1 subps %xmm1,%xmm3 mulps %xmm2,%xmm3 mulps nb132_half(%esp),%xmm3 ## rinv iO - j water in xmm3 movaps %xmm3,nb132_rinvOO(%esp) movaps %xmm3,%xmm0 ## rinv xorps %xmm4,%xmm4 ## fetch charges to xmm4 (temporary) movss nb132_qqOO(%esp),%xmm4 movhps nb132_qqOH(%esp),%xmm4 mulps %xmm4,%xmm3 ## vcoul movaps %xmm3,%xmm6 mulps %xmm0,%xmm3 movaps %xmm3,nb132_fstmp(%esp) ## save it addps nb132_vctot(%esp),%xmm6 movaps %xmm6,nb132_vctot(%esp) movaps nb132_rinvOO(%esp),%xmm0 movss %xmm0,%xmm1 mulss nb132_rsqOO(%esp),%xmm1 ## xmm1=r mulss nb132_tsc(%esp),%xmm1 cvttps2pi %xmm1,%mm6 cvtpi2ps %mm6,%xmm3 subss %xmm3,%xmm1 ## xmm1=eps movss %xmm1,%xmm2 mulss %xmm2,%xmm2 ## xmm2=eps2 pslld $3,%mm6 movd %eax,%mm0 movl nb132_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 nb132_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 nb132_c6(%esp),%xmm4 mulss %xmm4,%xmm7 ## fijD mulss %xmm4,%xmm5 ## Vvdw6 movss nb132_fstmp(%esp),%xmm3 mulps nb132_tsc(%esp),%xmm7 subss %xmm7,%xmm3 movss %xmm3,nb132_fstmp(%esp) addss nb132_Vvdwtot(%esp),%xmm5 movss %xmm5,nb132_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 nb132_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 nb132_c12(%esp),%xmm4 mulss %xmm4,%xmm7 ## fijR mulss %xmm4,%xmm5 ## Vvdw12 movaps nb132_fstmp(%esp),%xmm3 mulss nb132_tsc(%esp),%xmm7 subss %xmm7,%xmm3 addss nb132_Vvdwtot(%esp),%xmm5 movss %xmm5,nb132_Vvdwtot(%esp) mulps %xmm3,%xmm0 movaps %xmm0,%xmm1 movaps %xmm0,%xmm2 mulps nb132_dxOO(%esp),%xmm0 mulps nb132_dyOO(%esp),%xmm1 mulps nb132_dzOO(%esp),%xmm2 movd %mm0,%eax ## initial update for j forces xorps %xmm3,%xmm3 xorps %xmm4,%xmm4 xorps %xmm5,%xmm5 subps %xmm0,%xmm3 subps %xmm1,%xmm4 subps %xmm2,%xmm5 movaps %xmm3,nb132_fjxO(%esp) movaps %xmm4,nb132_fjyO(%esp) movaps %xmm5,nb132_fjzO(%esp) addps nb132_fixO(%esp),%xmm0 addps nb132_fiyO(%esp),%xmm1 addps nb132_fizO(%esp),%xmm2 movaps %xmm0,nb132_fixO(%esp) movaps %xmm1,nb132_fiyO(%esp) movaps %xmm2,nb132_fizO(%esp) ## done with i O Now do i H1 & H2 simultaneously first get i particle coords: movaps nb132_ixH1(%esp),%xmm0 movaps nb132_iyH1(%esp),%xmm1 movaps nb132_izH1(%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_jxO(%esp),%xmm3 subps nb132_jyO(%esp),%xmm4 subps nb132_jzO(%esp),%xmm5 movaps %xmm0,nb132_dxH1O(%esp) movaps %xmm1,nb132_dyH1O(%esp) movaps %xmm2,nb132_dzH1O(%esp) movaps %xmm3,nb132_dxH2O(%esp) movaps %xmm4,nb132_dyH2O(%esp) movaps %xmm5,nb132_dzH2O(%esp) mulps %xmm0,%xmm0 mulps %xmm1,%xmm1 mulps %xmm2,%xmm2 mulps %xmm3,%xmm3 mulps %xmm4,%xmm4 mulps %xmm5,%xmm5 addps %xmm1,%xmm0 addps %xmm3,%xmm4 addps %xmm2,%xmm0 ## have rsqH1 in xmm0 addps %xmm5,%xmm4 ## have rsqH2 in xmm4 ## do invsqrt 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 ## rinv H1 - j water mulps nb132_half(%esp),%xmm7 ## rinv H2 - j water ## assemble charges in xmm6 xorps %xmm6,%xmm6 movss nb132_qqOH(%esp),%xmm6 movhps nb132_qqHH(%esp),%xmm6 movaps %xmm3,%xmm0 movaps %xmm7,%xmm1 mulps %xmm6,%xmm3 ## vcoul mulps %xmm6,%xmm7 ## vcoul mulps %xmm0,%xmm0 mulps %xmm1,%xmm1 mulps %xmm3,%xmm0 addps %xmm7,%xmm3 mulps %xmm1,%xmm7 addps nb132_vctot(%esp),%xmm3 movaps %xmm3,nb132_vctot(%esp) movaps %xmm0,%xmm1 movaps %xmm0,%xmm2 mulps nb132_dxH1O(%esp),%xmm0 mulps nb132_dyH1O(%esp),%xmm1 mulps nb132_dzH1O(%esp),%xmm2 ## update forces H1 - j water movaps nb132_fjxO(%esp),%xmm3 movaps nb132_fjyO(%esp),%xmm4 movaps nb132_fjzO(%esp),%xmm5 subps %xmm0,%xmm3 subps %xmm1,%xmm4 subps %xmm2,%xmm5 movaps %xmm3,nb132_fjxO(%esp) movaps %xmm4,nb132_fjyO(%esp) movaps %xmm5,nb132_fjzO(%esp) addps nb132_fixH1(%esp),%xmm0 addps nb132_fiyH1(%esp),%xmm1 addps nb132_fizH1(%esp),%xmm2 movaps %xmm0,nb132_fixH1(%esp) movaps %xmm1,nb132_fiyH1(%esp) movaps %xmm2,nb132_fizH1(%esp) ## do forces H2 - j water movaps %xmm7,%xmm0 movaps %xmm7,%xmm1 movaps %xmm7,%xmm2 mulps nb132_dxH2O(%esp),%xmm0 mulps nb132_dyH2O(%esp),%xmm1 mulps nb132_dzH2O(%esp),%xmm2 movaps nb132_fjxO(%esp),%xmm3 movaps nb132_fjyO(%esp),%xmm4 movaps nb132_fjzO(%esp),%xmm5 subps %xmm0,%xmm3 subps %xmm1,%xmm4 subps %xmm2,%xmm5 movl nb132_faction(%ebp),%esi movaps %xmm3,nb132_fjxO(%esp) movaps %xmm4,nb132_fjyO(%esp) movaps %xmm5,nb132_fjzO(%esp) addps nb132_fixH2(%esp),%xmm0 addps nb132_fiyH2(%esp),%xmm1 addps nb132_fizH2(%esp),%xmm2 movaps %xmm0,nb132_fixH2(%esp) movaps %xmm1,nb132_fiyH2(%esp) movaps %xmm2,nb132_fizH2(%esp) ## update j water forces from local variables movlps (%esi,%eax,4),%xmm0 movlps 12(%esi,%eax,4),%xmm1 movhps 24(%esi,%eax,4),%xmm1 movaps nb132_fjxO(%esp),%xmm3 movaps nb132_fjyO(%esp),%xmm4 movaps nb132_fjzO(%esp),%xmm5 movaps %xmm5,%xmm6 movaps %xmm5,%xmm7 shufps $2,%xmm6,%xmm6 ## constant 00000010 shufps $3,%xmm7,%xmm7 ## constant 00000011 addss 8(%esi,%eax,4),%xmm5 addss 20(%esi,%eax,4),%xmm6 addss 32(%esi,%eax,4),%xmm7 movss %xmm5,8(%esi,%eax,4) movss %xmm6,20(%esi,%eax,4) movss %xmm7,32(%esi,%eax,4) movaps %xmm3,%xmm5 unpcklps %xmm4,%xmm3 unpckhps %xmm4,%xmm5 addps %xmm3,%xmm0 addps %xmm5,%xmm1 movlps %xmm0,(%esi,%eax,4) movlps %xmm1,12(%esi,%eax,4) movhps %xmm1,24(%esi,%eax,4) decl nb132_innerk(%esp) jz _nb_kernel132_ia32_sse.nb132_updateouterdata jmp _nb_kernel132_ia32_sse.nb132_single_loop_nb_kernel132_ia32_sse.nb132_updateouterdata: movl nb132_ii3(%esp),%ecx movl nb132_faction(%ebp),%edi movl nb132_fshift(%ebp),%esi movl nb132_is3(%esp),%edx ## accumulate Oi forces in xmm0, xmm1, xmm2 movaps nb132_fixO(%esp),%xmm0 movaps nb132_fiyO(%esp),%xmm1 movaps nb132_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 nb132_fixH1(%esp),%xmm0 movaps nb132_fiyH1(%esp),%xmm1 movaps nb132_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 nb132_fixH2(%esp),%xmm0 movaps nb132_fiyH2(%esp),%xmm1 movaps nb132_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
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