nb_kernel233_ia32_sse.s
来自「最著名最快的分子模拟软件」· S 代码 · 共 2,059 行 · 第 1/5 页
S
2,059 行
addps %xmm1,%xmm4 addps %xmm2,%xmm7 movaps %xmm3,nb233_fixM(%esp) movaps %xmm4,nb233_fiyM(%esp) movaps %xmm7,nb233_fizM(%esp) movl nb233_faction(%ebp),%edi ## update j forces from stored values addps nb233_fjx(%esp),%xmm0 addps nb233_fjy(%esp),%xmm1 addps nb233_fjz(%esp),%xmm2 movlps (%edi,%eax,4),%xmm4 movlps (%edi,%ecx,4),%xmm7 movhps (%edi,%ebx,4),%xmm4 movhps (%edi,%edx,4),%xmm7 movaps %xmm4,%xmm3 shufps $136,%xmm7,%xmm3 ## constant 10001000 shufps $221,%xmm7,%xmm4 ## constant 11011101 ## xmm3 has fjx, xmm4 has fjy subps %xmm0,%xmm3 subps %xmm1,%xmm4 ## unpack them back for storing movaps %xmm3,%xmm7 unpcklps %xmm4,%xmm7 unpckhps %xmm4,%xmm3 movlps %xmm7,(%edi,%eax,4) movlps %xmm3,(%edi,%ecx,4) movhps %xmm7,(%edi,%ebx,4) movhps %xmm3,(%edi,%edx,4) ## finally z forces movss 8(%edi,%eax,4),%xmm0 movss 8(%edi,%ebx,4),%xmm1 movss 8(%edi,%ecx,4),%xmm3 movss 8(%edi,%edx,4),%xmm4 subss %xmm2,%xmm0 shufps $229,%xmm2,%xmm2 ## constant 11100101 subss %xmm2,%xmm1 shufps $234,%xmm2,%xmm2 ## constant 11101010 subss %xmm2,%xmm3 shufps $255,%xmm2,%xmm2 ## constant 11111111 subss %xmm2,%xmm4 movss %xmm0,8(%edi,%eax,4) movss %xmm1,8(%edi,%ebx,4) movss %xmm3,8(%edi,%ecx,4) movss %xmm4,8(%edi,%edx,4) ## should we do one more iteration? subl $4,nb233_innerk(%esp) jl _nb_kernel233_ia32_sse.nb233_odd_inner jmp _nb_kernel233_ia32_sse.nb233_unroll_loop_nb_kernel233_ia32_sse.nb233_odd_inner: addl $4,nb233_innerk(%esp) jnz _nb_kernel233_ia32_sse.nb233_odd_loop jmp _nb_kernel233_ia32_sse.nb233_updateouterdata_nb_kernel233_ia32_sse.nb233_odd_loop: movl nb233_innerjjnr(%esp),%edx ## pointer to jjnr[k] movl (%edx),%eax addl $4,nb233_innerjjnr(%esp) xorps %xmm4,%xmm4 ## clear reg. movss nb233_iqM(%esp),%xmm4 movl nb233_charge(%ebp),%esi movhps nb233_iqH(%esp),%xmm4 ## [qM 0 qH qH] shufps $41,%xmm4,%xmm4 ## [0 qH qH qM] movss (%esi,%eax,4),%xmm3 ## charge in xmm3 shufps $0,%xmm3,%xmm3 mulps %xmm4,%xmm3 movaps %xmm3,nb233_qqM(%esp) ## use dummy qq for storage xorps %xmm6,%xmm6 movl nb233_type(%ebp),%esi movl (%esi,%eax,4),%ebx movl nb233_vdwparam(%ebp),%esi shll %ebx addl nb233_ntia(%esp),%ebx movlps (%esi,%ebx,4),%xmm6 movaps %xmm6,%xmm7 shufps $252,%xmm6,%xmm6 ## constant 11111100 shufps $253,%xmm7,%xmm7 ## constant 11111101 movaps %xmm6,nb233_c6(%esp) movaps %xmm7,nb233_c12(%esp) movl nb233_pos(%ebp),%esi leal (%eax,%eax,2),%eax movss nb233_ixO(%esp),%xmm3 movss nb233_iyO(%esp),%xmm4 movss nb233_izO(%esp),%xmm5 movss nb233_ixH1(%esp),%xmm0 movss nb233_iyH1(%esp),%xmm1 movss nb233_izH1(%esp),%xmm2 unpcklps nb233_ixH2(%esp),%xmm3 ## ixO ixH2 - - unpcklps nb233_iyH2(%esp),%xmm4 ## iyO iyH2 - - unpcklps nb233_izH2(%esp),%xmm5 ## izO izH2 - - unpcklps nb233_ixM(%esp),%xmm0 ## ixH1 ixM - - unpcklps nb233_iyM(%esp),%xmm1 ## iyH1 iyM - - unpcklps nb233_izM(%esp),%xmm2 ## izH1 izM - - unpcklps %xmm0,%xmm3 ## ixO ixH1 ixH2 ixM unpcklps %xmm1,%xmm4 ## same for y unpcklps %xmm2,%xmm5 ## same for z ## 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 subps %xmm0,%xmm3 subps %xmm1,%xmm4 subps %xmm2,%xmm5 ## use O distances for storage movaps %xmm3,nb233_dxO(%esp) movaps %xmm4,nb233_dyO(%esp) movaps %xmm5,nb233_dzO(%esp) mulps %xmm3,%xmm3 mulps %xmm4,%xmm4 mulps %xmm5,%xmm5 addps %xmm3,%xmm4 addps %xmm5,%xmm4 ## rsq in xmm4 movaps %xmm4,%xmm0 mulps nb233_krf(%esp),%xmm0 movaps %xmm0,nb233_krsqM(%esp) rsqrtps %xmm4,%xmm5 ## lookup seed in xmm5 movaps %xmm5,%xmm2 mulps %xmm5,%xmm5 movaps nb233_three(%esp),%xmm1 mulps %xmm4,%xmm5 ## rsq*lu*lu movaps nb233_half(%esp),%xmm0 subps %xmm5,%xmm1 ## constant 30-rsq*lu*lu mulps %xmm2,%xmm1 mulps %xmm1,%xmm0 ## xmm0=rinv, xmm4=rsq mulps %xmm0,%xmm4 mulps nb233_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 nb233_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 nb233_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 nb233_c6(%esp),%xmm4 mulss %xmm4,%xmm7 ## fijD mulss %xmm4,%xmm5 ## Vvdw6 mulss nb233_tsc(%esp),%xmm7 ## put scalar force on stack Update Vvdwtot directly addss nb233_Vvdwtot(%esp),%xmm5 movss %xmm7,nb233_fstmp(%esp) movss %xmm5,nb233_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 nb233_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 nb233_c12(%esp),%xmm4 mulss %xmm4,%xmm7 ## fijR mulss %xmm4,%xmm5 ## Vvdw12 mulss nb233_tsc(%esp),%xmm7 addss nb233_fstmp(%esp),%xmm7 movss %xmm7,nb233_fstmp(%esp) addss nb233_Vvdwtot(%esp),%xmm5 movss %xmm5,nb233_Vvdwtot(%esp) movd %mm0,%eax movaps %xmm0,%xmm4 movaps %xmm0,%xmm1 movaps %xmm0,%xmm5 mulps %xmm4,%xmm4 ## xmm1=rinv, xmm4=rinvsq movaps nb233_krsqM(%esp),%xmm3 addps %xmm3,%xmm5 ## xmm0=rinv+ krsq subps nb233_crf(%esp),%xmm5 ## xmm0=rinv+ krsq-crf mulps nb233_two(%esp),%xmm3 subps %xmm3,%xmm1 ## xmm1=rinv-2*krsq movaps %xmm5,%xmm2 mulps nb233_qqM(%esp),%xmm2 ## xmm2=vcoul mulps nb233_qqM(%esp),%xmm1 ## xmm1=coul part of fs mulps %xmm0,%xmm1 subss nb233_fstmp(%esp),%xmm1 mulps %xmm0,%xmm1 movaps %xmm1,%xmm4 addps nb233_vctot(%esp),%xmm2 movaps %xmm2,nb233_vctot(%esp) movaps nb233_dxO(%esp),%xmm0 movaps nb233_dyO(%esp),%xmm1 movaps nb233_dzO(%esp),%xmm2 mulps %xmm4,%xmm0 mulps %xmm4,%xmm1 mulps %xmm4,%xmm2 ## xmm0-xmm2 now contains tx-tz (partial force) movss nb233_fixO(%esp),%xmm3 movss nb233_fiyO(%esp),%xmm4 movss nb233_fizO(%esp),%xmm5 addss %xmm0,%xmm3 addss %xmm1,%xmm4 addss %xmm2,%xmm5 movss %xmm3,nb233_fixO(%esp) movss %xmm4,nb233_fiyO(%esp) movss %xmm5,nb233_fizO(%esp) ## updated the O force now do the H's movaps %xmm0,%xmm3 movaps %xmm1,%xmm4 movaps %xmm2,%xmm5 shufps $0x39,%xmm3,%xmm3 ## shift right shufps $0x39,%xmm4,%xmm4 shufps $0x39,%xmm5,%xmm5 addss nb233_fixH1(%esp),%xmm3 addss nb233_fiyH1(%esp),%xmm4 addss nb233_fizH1(%esp),%xmm5 movss %xmm3,nb233_fixH1(%esp) movss %xmm4,nb233_fiyH1(%esp) movss %xmm5,nb233_fizH1(%esp) ## updated the H1 force shufps $0x39,%xmm3,%xmm3 shufps $0x39,%xmm4,%xmm4 shufps $0x39,%xmm5,%xmm5 addss nb233_fixH2(%esp),%xmm3 addss nb233_fiyH2(%esp),%xmm4 addss nb233_fizH2(%esp),%xmm5 movss %xmm3,nb233_fixH2(%esp) movss %xmm4,nb233_fiyH2(%esp) movss %xmm5,nb233_fizH2(%esp) ## updated the H2 force movl nb233_faction(%ebp),%edi shufps $0x39,%xmm3,%xmm3 shufps $0x39,%xmm4,%xmm4 shufps $0x39,%xmm5,%xmm5 addss nb233_fixM(%esp),%xmm3 addss nb233_fiyM(%esp),%xmm4 addss nb233_fizM(%esp),%xmm5 movss %xmm3,nb233_fixM(%esp) movss %xmm4,nb233_fiyM(%esp) movss %xmm5,nb233_fizM(%esp) ## updated the M force ## the fj's - move in from mem start by acc. tx/ty/tz in xmm0, xmm1 movlps (%edi,%eax,4),%xmm6 movss 8(%edi,%eax,4),%xmm7 movhlps %xmm0,%xmm3 movhlps %xmm1,%xmm4 movhlps %xmm2,%xmm5 addps %xmm0,%xmm3 addps %xmm1,%xmm4 addps %xmm2,%xmm5 movaps %xmm3,%xmm0 movaps %xmm4,%xmm1 movaps %xmm5,%xmm2 shufps $0x39,%xmm3,%xmm3 ## shift right shufps $0x39,%xmm4,%xmm4 shufps $0x39,%xmm5,%xmm5 addss %xmm3,%xmm0 addss %xmm4,%xmm1 addss %xmm5,%xmm2 unpcklps %xmm1,%xmm0 ## x,y sum in xmm0, z sum in xmm2 subps %xmm0,%xmm6 subss %xmm2,%xmm7 movlps %xmm6,(%edi,%eax,4) movss %xmm7,8(%edi,%eax,4) decl nb233_innerk(%esp) jz _nb_kernel233_ia32_sse.nb233_updateouterdata jmp _nb_kernel233_ia32_sse.nb233_odd_loop_nb_kernel233_ia32_sse.nb233_updateouterdata: movl nb233_ii3(%esp),%ecx movl nb233_faction(%ebp),%edi movl nb233_fshift(%ebp),%esi movl nb233_is3(%esp),%edx ## accumulate Oi forces in xmm0, xmm1, xmm2 movaps nb233_fixO(%esp),%xmm0 movaps nb233_fiyO(%esp),%xmm1 movaps nb233_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 nb233_fixH1(%esp),%xmm0 movaps nb233_fiyH1(%esp),%xmm1 movaps nb233_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⌨️ 快捷键说明
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