nb_kernel132_ia32_sse.intel_syntax.s
来自「最著名最快的分子模拟软件」· S 代码 · 共 2,176 行 · 第 1/5 页
S
2,176 行
movlps xmm5, [esi + eax*4] movaps xmm4, xmm5 shufps xmm4, xmm7, 136 ;# constant 10001000 shufps xmm5, xmm7, 221 ;# constant 11011101 movlps xmm7, [esi + eax*4 + 8] movaps xmm6, xmm7 shufps xmm6, xmm3, 136 ;# constant 10001000 shufps xmm7, xmm3, 221 ;# constant 11011101 ;# dispersion table ready, in xmm4-xmm7 mulss xmm6, xmm1 ;# xmm6=Geps mulss xmm7, xmm2 ;# xmm7=Heps2 addss xmm5, xmm6 addss xmm5, xmm7 ;# xmm5=Fp mulss xmm7, [esp + nb132_two] ;# two*Heps2 addss xmm7, xmm6 addss xmm7, xmm5 ;# xmm7=FF mulss xmm5, xmm1 ;# xmm5=eps*Fp addss xmm5, xmm4 ;# xmm5=VV movss xmm4, [esp + nb132_c6] mulss xmm7, xmm4 ;# fijD mulss xmm5, xmm4 ;# Vvdw6 movss xmm3, [esp + nb132_fstmp] mulps xmm7, [esp + nb132_tsc] subss xmm3, xmm7 movss [esp + nb132_fstmp], xmm3 addss xmm5, [esp + nb132_Vvdwtot] movss [esp + nb132_Vvdwtot], xmm5 ;# repulsion movlps xmm5, [esi + eax*4 + 16] movaps xmm4, xmm5 shufps xmm4, xmm7, 136 ;# constant 10001000 shufps xmm5, xmm7, 221 ;# constant 11011101 movlps xmm7, [esi + eax*4 + 24] movaps xmm6, xmm7 shufps xmm6, xmm3, 136 ;# constant 10001000 shufps xmm7, xmm3, 221 ;# constant 11011101 ;# table ready, in xmm4-xmm7 mulss xmm6, xmm1 ;# xmm6=Geps mulss xmm7, xmm2 ;# xmm7=Heps2 addss xmm5, xmm6 addss xmm5, xmm7 ;# xmm5=Fp mulss xmm7, [esp + nb132_two] ;# two*Heps2 addss xmm7, xmm6 addss xmm7, xmm5 ;# xmm7=FF mulss xmm5, xmm1 ;# xmm5=eps*Fp addss xmm5, xmm4 ;# xmm5=VV movss xmm4, [esp + nb132_c12] mulss xmm7, xmm4 ;# fijR mulss xmm5, xmm4 ;# Vvdw12 movaps xmm3, [esp + nb132_fstmp] mulss xmm7, [esp + nb132_tsc] subss xmm3, xmm7 addss xmm5, [esp + nb132_Vvdwtot] movss [esp + nb132_Vvdwtot], xmm5 mulps xmm0, xmm3 movaps xmm1, xmm0 movaps xmm2, xmm0 mulps xmm0, [esp + nb132_dxOO] mulps xmm1, [esp + nb132_dyOO] mulps xmm2, [esp + nb132_dzOO] movd eax, mm0 ;# initial update for j forces xorps xmm3, xmm3 xorps xmm4, xmm4 xorps xmm5, xmm5 subps xmm3, xmm0 subps xmm4, xmm1 subps xmm5, xmm2 movaps [esp + nb132_fjxO], xmm3 movaps [esp + nb132_fjyO], xmm4 movaps [esp + nb132_fjzO], xmm5 addps xmm0, [esp + nb132_fixO] addps xmm1, [esp + nb132_fiyO] addps xmm2, [esp + nb132_fizO] movaps [esp + nb132_fixO], xmm0 movaps [esp + nb132_fiyO], xmm1 movaps [esp + nb132_fizO], xmm2 ;# done with i O Now do i H1 & H2 simultaneously first get i particle coords: movaps xmm0, [esp + nb132_ixH1] movaps xmm1, [esp + nb132_iyH1] movaps xmm2, [esp + nb132_izH1] movaps xmm3, [esp + nb132_ixH2] movaps xmm4, [esp + nb132_iyH2] movaps xmm5, [esp + nb132_izH2] subps xmm0, [esp + nb132_jxO] subps xmm1, [esp + nb132_jyO] subps xmm2, [esp + nb132_jzO] subps xmm3, [esp + nb132_jxO] subps xmm4, [esp + nb132_jyO] subps xmm5, [esp + nb132_jzO] movaps [esp + nb132_dxH1O], xmm0 movaps [esp + nb132_dyH1O], xmm1 movaps [esp + nb132_dzH1O], xmm2 movaps [esp + nb132_dxH2O], xmm3 movaps [esp + nb132_dyH2O], xmm4 movaps [esp + nb132_dzH2O], xmm5 mulps xmm0, xmm0 mulps xmm1, xmm1 mulps xmm2, xmm2 mulps xmm3, xmm3 mulps xmm4, xmm4 mulps xmm5, xmm5 addps xmm0, xmm1 addps xmm4, xmm3 addps xmm0, xmm2 ;# have rsqH1 in xmm0 addps xmm4, xmm5 ;# have rsqH2 in xmm4 ;# do invsqrt rsqrtps xmm1, xmm0 rsqrtps xmm5, xmm4 movaps xmm2, xmm1 movaps xmm6, xmm5 mulps xmm1, xmm1 mulps xmm5, xmm5 movaps xmm3, [esp + nb132_three] movaps xmm7, xmm3 mulps xmm1, xmm0 mulps xmm5, xmm4 subps xmm3, xmm1 subps xmm7, xmm5 mulps xmm3, xmm2 mulps xmm7, xmm6 mulps xmm3, [esp + nb132_half] ;# rinv H1 - j water mulps xmm7, [esp + nb132_half] ;# rinv H2 - j water ;# assemble charges in xmm6 xorps xmm6, xmm6 movss xmm6, [esp + nb132_qqOH] movhps xmm6, [esp + nb132_qqHH] movaps xmm0, xmm3 movaps xmm1, xmm7 mulps xmm3, xmm6 ;# vcoul mulps xmm7, xmm6 ;# vcoul mulps xmm0, xmm0 mulps xmm1, xmm1 mulps xmm0, xmm3 addps xmm3, xmm7 mulps xmm7, xmm1 addps xmm3, [esp + nb132_vctot] movaps [esp + nb132_vctot], xmm3 movaps xmm1, xmm0 movaps xmm2, xmm0 mulps xmm0, [esp + nb132_dxH1O] mulps xmm1, [esp + nb132_dyH1O] mulps xmm2, [esp + nb132_dzH1O] ;# update forces H1 - j water movaps xmm3, [esp + nb132_fjxO] movaps xmm4, [esp + nb132_fjyO] movaps xmm5, [esp + nb132_fjzO] subps xmm3, xmm0 subps xmm4, xmm1 subps xmm5, xmm2 movaps [esp + nb132_fjxO], xmm3 movaps [esp + nb132_fjyO], xmm4 movaps [esp + nb132_fjzO], xmm5 addps xmm0, [esp + nb132_fixH1] addps xmm1, [esp + nb132_fiyH1] addps xmm2, [esp + nb132_fizH1] movaps [esp + nb132_fixH1], xmm0 movaps [esp + nb132_fiyH1], xmm1 movaps [esp + nb132_fizH1], xmm2 ;# do forces H2 - j water movaps xmm0, xmm7 movaps xmm1, xmm7 movaps xmm2, xmm7 mulps xmm0, [esp + nb132_dxH2O] mulps xmm1, [esp + nb132_dyH2O] mulps xmm2, [esp + nb132_dzH2O] movaps xmm3, [esp + nb132_fjxO] movaps xmm4, [esp + nb132_fjyO] movaps xmm5, [esp + nb132_fjzO] subps xmm3, xmm0 subps xmm4, xmm1 subps xmm5, xmm2 mov esi, [ebp + nb132_faction] movaps [esp + nb132_fjxO], xmm3 movaps [esp + nb132_fjyO], xmm4 movaps [esp + nb132_fjzO], xmm5 addps xmm0, [esp + nb132_fixH2] addps xmm1, [esp + nb132_fiyH2] addps xmm2, [esp + nb132_fizH2] movaps [esp + nb132_fixH2], xmm0 movaps [esp + nb132_fiyH2], xmm1 movaps [esp + nb132_fizH2], xmm2 ;# update j water forces from local variables movlps xmm0, [esi + eax*4] movlps xmm1, [esi + eax*4 + 12] movhps xmm1, [esi + eax*4 + 24] movaps xmm3, [esp + nb132_fjxO] movaps xmm4, [esp + nb132_fjyO] movaps xmm5, [esp + nb132_fjzO] movaps xmm6, xmm5 movaps xmm7, xmm5 shufps xmm6, xmm6, 2 ;# constant 00000010 shufps xmm7, xmm7, 3 ;# constant 00000011 addss xmm5, [esi + eax*4 + 8] addss xmm6, [esi + eax*4 + 20] addss xmm7, [esi + eax*4 + 32] movss [esi + eax*4 + 8], xmm5 movss [esi + eax*4 + 20], xmm6 movss [esi + eax*4 + 32], xmm7 movaps xmm5, xmm3 unpcklps xmm3, xmm4 unpckhps xmm5, xmm4 addps xmm0, xmm3 addps xmm1, xmm5 movlps [esi + eax*4], xmm0 movlps [esi + eax*4 + 12], xmm1 movhps [esi + eax*4 + 24], xmm1 dec dword ptr [esp + nb132_innerk] jz .nb132_updateouterdata jmp .nb132_single_loop.nb132_updateouterdata: mov ecx, [esp + nb132_ii3] mov edi, [ebp + nb132_faction] mov esi, [ebp + nb132_fshift] mov edx, [esp + nb132_is3] ;# accumulate Oi forces in xmm0, xmm1, xmm2 movaps xmm0, [esp + nb132_fixO] movaps xmm1, [esp + nb132_fiyO] movaps xmm2, [esp + nb132_fizO] movhlps xmm3, xmm0 movhlps xmm4, xmm1 movhlps xmm5, xmm2 addps xmm0, xmm3 addps xmm1, xmm4 addps xmm2, xmm5 ;# sum is in 1/2 in xmm0-xmm2 movaps xmm3, xmm0 movaps xmm4, xmm1 movaps xmm5, xmm2 shufps xmm3, xmm3, 1 shufps xmm4, xmm4, 1 shufps xmm5, xmm5, 1 addss xmm0, xmm3 addss xmm1, xmm4 addss xmm2, xmm5 ;# xmm0-xmm2 has single force in pos0 ;# increment i force movss xmm3, [edi + ecx*4] movss xmm4, [edi + ecx*4 + 4] movss xmm5, [edi + ecx*4 + 8] addss xmm3, xmm0 addss xmm4, xmm1 addss xmm5, xmm2 movss [edi + ecx*4], xmm3 movss [edi + ecx*4 + 4], xmm4 movss [edi + ecx*4 + 8], xmm5 ;# accumulate force in xmm6/xmm7 for fshift movaps xmm6, xmm0 movss xmm7, xmm2 movlhps xmm6, xmm1 shufps xmm6, xmm6, 8 ;# constant 00001000 ;# accumulate H1i forces in xmm0, xmm1, xmm2 movaps xmm0, [esp + nb132_fixH1] movaps xmm1, [esp + nb132_fiyH1] movaps xmm2, [esp + nb132_fizH1] movhlps xmm3, xmm0 movhlps xmm4, xmm1 movhlps xmm5, xmm2 addps xmm0, xmm3 addps xmm1, xmm4 addps xmm2, xmm5 ;# sum is in 1/2 in xmm0-xmm2 movaps xmm3, xmm0 movaps xmm4, xmm1 movaps xmm5, xmm2 shufps xmm3, xmm3, 1 shufps xmm4, xmm4, 1 shufps xmm5, xmm5, 1 addss xmm0, xmm3 addss xmm1, xmm4 addss xmm2, xmm5 ;# xmm0-xmm2 has single force in pos0 ;# increment i force movss xmm3, [edi + ecx*4 + 12] movss xmm4, [edi + ecx*4 + 16] movss xmm5, [edi + ecx*4 + 20] addss xmm3, xmm0 addss xmm4, xmm1 addss xmm5, xmm2 movss [edi + ecx*4 + 12], xmm3 movss [edi + ecx*4 + 16], xmm4 movss [edi + ecx*4 + 20], xmm5 ;# accumulate force in xmm6/xmm7 for fshift addss xmm7, xmm2 movlhps xmm0, xmm1 shufps xmm0, xmm0, 8 ;# constant 00001000 addps xmm6, xmm0 ;# accumulate H2i forces in xmm0, xmm1, xmm2 movaps xmm0, [esp + nb132_fixH2] movaps xmm1, [esp + nb132_fiyH2] movaps xmm2, [esp + nb132_fizH2] movhlps xmm3, xmm0 movhlps xmm4, xmm1 movhlps xmm5, xmm2 addps xmm0, xmm3 addps xmm1, xmm4 addps xmm2, xmm5 ;# sum is in 1/2 in xmm0-xmm2 movaps xmm3, xmm0 movaps xmm4, xmm1 movaps xmm5, xmm2 shufps xmm3, xmm3, 1 shufps xmm4, xmm4, 1 shufps xmm5, xmm5, 1 addss xmm0, xmm3 addss xmm1, xmm4 addss xmm2, xmm5 ;# xmm0-xmm2 has single force in pos0 ;# increment i force movss xmm3, [edi + ecx*4 + 24] movss xmm4, [edi + ecx*4 + 28] movss xmm5, [edi + ecx*4 + 32] addss xmm3, xmm0 addss xmm4, xmm1 addss xmm5, xmm2 movss [edi + ecx*4 + 24], xmm3 movss [edi + ecx*4 + 28], xmm4 movss [edi + ecx*4 + 32], xmm5 ;# accumulate force in xmm6/xmm7 for fshift addss xmm7, xmm2 movlhps xmm0, xmm1 shufps xmm0, xmm0, 8 ;# constant 00001000 addps xmm6, xmm0 ;# increment fshift force movlps xmm3, [esi + edx*4] movss xmm4, [esi + edx*4 + 8] addps xmm3, xmm6 addss xmm4, xmm7 movlps [esi + edx*4], xmm3 movss [esi + edx*4 + 8], xmm4 ;# get n from stack mov esi, [esp + nb132_n] ;# get group index for i particle mov edx, [ebp + nb132_gid] ;# base of gid[] mov edx, [edx + esi*4] ;# ggid=gid[n] ;# accumulate total potential energy and update it movaps xmm7, [esp + nb132_vctot] ;# accumulate movhlps xmm6, xmm7 addps xmm7, xmm6 ;# pos 0-1 in xmm7 have the sum now movaps xmm6, xmm7 shufps xmm6, xmm6, 1 addss xmm7, xmm6 ;# add earlier value from mem mov eax, [ebp + nb132_Vc] addss xmm7, [eax + edx*4] ;# move back to mem movss [eax + edx*4], xmm7 ;# accumulate total lj energy and update it movaps xmm7, [esp + nb132_Vvdwtot] ;# accumulate movhlps xmm6, xmm7 addps xmm7, xmm6 ;# pos 0-1 in xmm7 have the sum now movaps xmm6, xmm7 shufps xmm6, xmm6, 1 addss xmm7, xmm6 ;# add earlier value from mem mov eax, [ebp + nb132_Vvdw] addss xmm7, [eax + edx*4] ;# move back to mem movss [eax + edx*4], xmm7 ;# finish if last mov ecx, [esp + nb132_nn1] ;# esi already loaded with n inc esi sub ecx, esi jecxz .nb132_outerend ;# not last, iterate outer loop once more! mov [esp + nb132_n], esi jmp .nb132_outer.nb132_outerend: ;# check if more outer neighborlists remain mov ecx, [esp + nb132_nri] ;# esi already loaded with n above sub ecx, esi jecxz .nb132_end ;# non-zero, do one more workunit jmp .nb132_threadloop.nb132_end: emms mov eax, [esp + nb132_nouter] mov ebx, [esp + nb132_ninner] mov ecx, [ebp + nb132_outeriter] mov edx, [ebp + nb132_inneriter] mov [ecx], eax mov [edx], ebx mov eax, [esp + nb132_salign] add esp, eax add esp, 1560 pop edi pop esi pop edx pop ecx pop ebx pop eax⌨️ 快捷键说明
复制代码Ctrl + C
搜索代码Ctrl + F
全屏模式F11
增大字号Ctrl + =
减小字号Ctrl + -
显示快捷键?