nb_kernel104_ia32_sse2.intel_syntax.s
来自「最著名最快的分子模拟软件」· S 代码 · 共 2,152 行 · 第 1/5 页
S
2,152 行
mulpd xmm1, [esp + nb104_dyH1H1] mulpd xmm2, [esp + nb104_dzH1H1] subpd xmm3, xmm0 subpd xmm4, xmm1 subpd xmm5, xmm2 addpd xmm0, [esp + nb104_fixH1] addpd xmm1, [esp + nb104_fiyH1] addpd xmm2, [esp + nb104_fizH1] movapd [esp + nb104_fjxH1], xmm3 movapd [esp + nb104_fjyH1], xmm4 movapd [esp + nb104_fjzH1], xmm5 movapd [esp + nb104_fixH1], xmm0 movapd [esp + nb104_fiyH1], xmm1 movapd [esp + nb104_fizH1], xmm2 ;# H1-H2 interaction movapd xmm0, [esp + nb104_rinvH1H2] movapd xmm1, xmm0 mulpd xmm0, xmm0 mulpd xmm1, [esp + nb104_qqHH] mulpd xmm0, xmm1 ;# fsMH2 addpd xmm7, xmm1 ;# add to local vctot movapd xmm1, xmm0 movapd xmm2, xmm0 movapd xmm3, [esp + nb104_fjxH2] movapd xmm4, [esp + nb104_fjyH2] movapd xmm5, [esp + nb104_fjzH2] mulpd xmm0, [esp + nb104_dxH1H2] mulpd xmm1, [esp + nb104_dyH1H2] mulpd xmm2, [esp + nb104_dzH1H2] subpd xmm3, xmm0 subpd xmm4, xmm1 subpd xmm5, xmm2 addpd xmm0, [esp + nb104_fixH1] addpd xmm1, [esp + nb104_fiyH1] addpd xmm2, [esp + nb104_fizH1] movapd [esp + nb104_fjxH2], xmm3 movapd [esp + nb104_fjyH2], xmm4 movapd [esp + nb104_fjzH2], xmm5 movapd [esp + nb104_fixH1], xmm0 movapd [esp + nb104_fiyH1], xmm1 movapd [esp + nb104_fizH1], xmm2 ;# H2-M interaction movapd xmm0, [esp + nb104_rinvH2M] movapd xmm1, xmm0 mulpd xmm0, xmm0 mulpd xmm1, [esp + nb104_qqMH] mulpd xmm0, xmm1 ;# fsH2M addpd xmm7, xmm1 ;# add to local vctot movapd xmm1, xmm0 movapd xmm2, xmm0 movapd xmm3, [esp + nb104_fjxM] movapd xmm4, [esp + nb104_fjyM] movapd xmm5, [esp + nb104_fjzM] mulpd xmm0, [esp + nb104_dxH2M] mulpd xmm1, [esp + nb104_dyH2M] mulpd xmm2, [esp + nb104_dzH2M] subpd xmm3, xmm0 subpd xmm4, xmm1 subpd xmm5, xmm2 addpd xmm0, [esp + nb104_fixH2] addpd xmm1, [esp + nb104_fiyH2] addpd xmm2, [esp + nb104_fizH2] movapd [esp + nb104_fjxM], xmm3 movapd [esp + nb104_fjyM], xmm4 movapd [esp + nb104_fjzM], xmm5 movapd [esp + nb104_fixH2], xmm0 movapd [esp + nb104_fiyH2], xmm1 movapd [esp + nb104_fizH2], xmm2 ;# H2-H1 interaction movapd xmm0, [esp + nb104_rinvH2H1] movapd xmm1, xmm0 mulpd xmm0, xmm0 mulpd xmm1, [esp + nb104_qqHH] mulpd xmm0, xmm1 ;# fsH2H1 addpd xmm7, xmm1 ;# add to local vctot movapd xmm1, xmm0 movapd xmm2, xmm0 movapd xmm3, [esp + nb104_fjxH1] movapd xmm4, [esp + nb104_fjyH1] movapd xmm5, [esp + nb104_fjzH1] mulpd xmm0, [esp + nb104_dxH2H1] mulpd xmm1, [esp + nb104_dyH2H1] mulpd xmm2, [esp + nb104_dzH2H1] subpd xmm3, xmm0 subpd xmm4, xmm1 subpd xmm5, xmm2 addpd xmm0, [esp + nb104_fixH2] addpd xmm1, [esp + nb104_fiyH2] addpd xmm2, [esp + nb104_fizH2] movapd [esp + nb104_fjxH1], xmm3 movapd [esp + nb104_fjyH1], xmm4 movapd [esp + nb104_fjzH1], xmm5 movapd [esp + nb104_fixH2], xmm0 movapd [esp + nb104_fiyH2], xmm1 movapd [esp + nb104_fizH2], xmm2 ;# H2-H2 interaction movapd xmm0, [esp + nb104_rinvH2H2] movapd xmm1, xmm0 mulpd xmm0, xmm0 mulpd xmm1, [esp + nb104_qqHH] mulpd xmm0, xmm1 ;# fsH2H2 addpd xmm7, xmm1 ;# add to local vctot movapd xmm1, xmm0 movapd [esp + nb104_vctot], xmm7 movapd xmm2, xmm0 movapd xmm3, [esp + nb104_fjxH2] movapd xmm4, [esp + nb104_fjyH2] movapd xmm5, [esp + nb104_fjzH2] mulpd xmm0, [esp + nb104_dxH2H2] mulpd xmm1, [esp + nb104_dyH2H2] mulpd xmm2, [esp + nb104_dzH2H2] subpd xmm3, xmm0 subpd xmm4, xmm1 subpd xmm5, xmm2 addpd xmm0, [esp + nb104_fixH2] addpd xmm1, [esp + nb104_fiyH2] addpd xmm2, [esp + nb104_fizH2] movapd [esp + nb104_fjxH2], xmm3 movapd [esp + nb104_fjyH2], xmm4 movapd [esp + nb104_fjzH2], xmm5 movapd [esp + nb104_fixH2], xmm0 movapd [esp + nb104_fiyH2], xmm1 movapd [esp + nb104_fizH2], xmm2 mov edi, [ebp + nb104_faction] ;# Did all interactions - now update j forces movlpd xmm0, [edi + eax*8 + 24] movlpd xmm1, [edi + eax*8 + 32] movlpd xmm2, [edi + eax*8 + 40] movlpd xmm3, [edi + eax*8 + 48] movlpd xmm4, [edi + eax*8 + 56] movlpd xmm5, [edi + eax*8 + 64] movlpd xmm6, [edi + eax*8 + 72] movlpd xmm7, [edi + eax*8 + 80] movhpd xmm0, [edi + ebx*8 + 24] movhpd xmm1, [edi + ebx*8 + 32] movhpd xmm2, [edi + ebx*8 + 40] movhpd xmm3, [edi + ebx*8 + 48] movhpd xmm4, [edi + ebx*8 + 56] movhpd xmm5, [edi + ebx*8 + 64] movhpd xmm6, [edi + ebx*8 + 72] movhpd xmm7, [edi + ebx*8 + 80] addpd xmm0, [esp + nb104_fjxH1] addpd xmm1, [esp + nb104_fjyH1] addpd xmm2, [esp + nb104_fjzH1] addpd xmm3, [esp + nb104_fjxH2] addpd xmm4, [esp + nb104_fjyH2] addpd xmm5, [esp + nb104_fjzH2] addpd xmm6, [esp + nb104_fjxM] addpd xmm7, [esp + nb104_fjyM] movlpd [edi + eax*8 + 24], xmm0 movlpd [edi + eax*8 + 32], xmm1 movlpd [edi + eax*8 + 40], xmm2 movlpd [edi + eax*8 + 48], xmm3 movlpd [edi + eax*8 + 56], xmm4 movlpd [edi + eax*8 + 64], xmm5 movlpd [edi + eax*8 + 72], xmm6 movlpd [edi + eax*8 + 80], xmm7 movhpd [edi + ebx*8 + 24], xmm0 movhpd [edi + ebx*8 + 32], xmm1 movhpd [edi + ebx*8 + 40], xmm2 movhpd [edi + ebx*8 + 48], xmm3 movhpd [edi + ebx*8 + 56], xmm4 movhpd [edi + ebx*8 + 64], xmm5 movhpd [edi + ebx*8 + 72], xmm6 movhpd [edi + ebx*8 + 80], xmm7 movlpd xmm0, [edi + eax*8 + 88] movhpd xmm0, [edi + ebx*8 + 88] addpd xmm0, [esp + nb104_fjzM] movlpd [edi + eax*8 + 88], xmm0 movhpd [edi + ebx*8 + 88], xmm0 ;# should we do one more iteration? sub dword ptr [esp + nb104_innerk], 2 jl .nb104_checksingle jmp .nb104_unroll_loop.nb104_checksingle: mov edx, [esp + nb104_innerk] and edx, 1 jnz .nb104_dosingle jmp .nb104_updateouterdata.nb104_dosingle: mov edx, [esp + nb104_innerjjnr] ;# pointer to jjnr[k] mov eax, [edx] mov esi, [ebp + nb104_pos] lea eax, [eax + eax*2] ;# move j coordinates to local temp variables movlpd xmm2, [esi + eax*8 + 24] movlpd xmm3, [esi + eax*8 + 32] movlpd xmm4, [esi + eax*8 + 40] movlpd xmm5, [esi + eax*8 + 48] movlpd xmm6, [esi + eax*8 + 56] movlpd xmm7, [esi + eax*8 + 64] movapd [esp + nb104_jxH1], xmm2 movapd [esp + nb104_jyH1], xmm3 movapd [esp + nb104_jzH1], xmm4 movapd [esp + nb104_jxH2], xmm5 movapd [esp + nb104_jyH2], xmm6 movapd [esp + nb104_jzH2], xmm7 movlpd xmm2, [esi + eax*8 + 72] movlpd xmm3, [esi + eax*8 + 80] movlpd xmm4, [esi + eax*8 + 88] movapd [esp + nb104_jxM], xmm2 movapd [esp + nb104_jyM], xmm3 movapd [esp + nb104_jzM], xmm4 movapd xmm0, [esp + nb104_ixM] movapd xmm1, [esp + nb104_iyM] movapd xmm2, [esp + nb104_izM] movapd xmm3, [esp + nb104_ixM] movapd xmm4, [esp + nb104_iyM] movapd xmm5, [esp + nb104_izM] subsd xmm0, [esp + nb104_jxM] subsd xmm1, [esp + nb104_jyM] subsd xmm2, [esp + nb104_jzM] subsd xmm3, [esp + nb104_jxH1] subsd xmm4, [esp + nb104_jyH1] subsd xmm5, [esp + nb104_jzH1] movapd [esp + nb104_dxMM], xmm0 movapd [esp + nb104_dyMM], xmm1 movapd [esp + nb104_dzMM], xmm2 mulsd xmm0, xmm0 mulsd xmm1, xmm1 mulsd xmm2, xmm2 movapd [esp + nb104_dxMH1], xmm3 movapd [esp + nb104_dyMH1], xmm4 movapd [esp + nb104_dzMH1], xmm5 mulsd xmm3, xmm3 mulsd xmm4, xmm4 mulsd xmm5, xmm5 addsd xmm0, xmm1 addsd xmm0, xmm2 addsd xmm3, xmm4 addsd xmm3, xmm5 movapd [esp + nb104_rsqMM], xmm0 movapd [esp + nb104_rsqMH1], xmm3 movapd xmm0, [esp + nb104_ixM] movapd xmm1, [esp + nb104_iyM] movapd xmm2, [esp + nb104_izM] movapd xmm3, [esp + nb104_ixH1] movapd xmm4, [esp + nb104_iyH1] movapd xmm5, [esp + nb104_izH1] subsd xmm0, [esp + nb104_jxH2] subsd xmm1, [esp + nb104_jyH2] subsd xmm2, [esp + nb104_jzH2] subsd xmm3, [esp + nb104_jxM] subsd xmm4, [esp + nb104_jyM] subsd xmm5, [esp + nb104_jzM] movapd [esp + nb104_dxMH2], xmm0 movapd [esp + nb104_dyMH2], xmm1 movapd [esp + nb104_dzMH2], xmm2 mulsd xmm0, xmm0 mulsd xmm1, xmm1 mulsd xmm2, xmm2 movapd [esp + nb104_dxH1M], xmm3 movapd [esp + nb104_dyH1M], xmm4 movapd [esp + nb104_dzH1M], xmm5 mulsd xmm3, xmm3 mulsd xmm4, xmm4 mulsd xmm5, xmm5 addsd xmm0, xmm1 addsd xmm0, xmm2 addsd xmm3, xmm4 addsd xmm3, xmm5 movapd [esp + nb104_rsqMH2], xmm0 movapd [esp + nb104_rsqH1M], xmm3 movapd xmm0, [esp + nb104_ixH1] movapd xmm1, [esp + nb104_iyH1] movapd xmm2, [esp + nb104_izH1] movapd xmm3, [esp + nb104_ixH1] movapd xmm4, [esp + nb104_iyH1] movapd xmm5, [esp + nb104_izH1] subsd xmm0, [esp + nb104_jxH1] subsd xmm1, [esp + nb104_jyH1] subsd xmm2, [esp + nb104_jzH1] subsd xmm3, [esp + nb104_jxH2] subsd xmm4, [esp + nb104_jyH2] subsd xmm5, [esp + nb104_jzH2] movapd [esp + nb104_dxH1H1], xmm0 movapd [esp + nb104_dyH1H1], xmm1 movapd [esp + nb104_dzH1H1], xmm2 mulsd xmm0, xmm0 mulsd xmm1, xmm1 mulsd xmm2, xmm2 movapd [esp + nb104_dxH1H2], xmm3 movapd [esp + nb104_dyH1H2], xmm4 movapd [esp + nb104_dzH1H2], xmm5 mulsd xmm3, xmm3 mulsd xmm4, xmm4 mulsd xmm5, xmm5 addsd xmm0, xmm1 addsd xmm0, xmm2 addsd xmm3, xmm4 addsd xmm3, xmm5 movapd [esp + nb104_rsqH1H1], xmm0 movapd [esp + nb104_rsqH1H2], xmm3 movapd xmm0, [esp + nb104_ixH2] movapd xmm1, [esp + nb104_iyH2] movapd xmm2, [esp + nb104_izH2] movapd xmm3, [esp + nb104_ixH2] movapd xmm4, [esp + nb104_iyH2] movapd xmm5, [esp + nb104_izH2] subsd xmm0, [esp + nb104_jxM] subsd xmm1, [esp + nb104_jyM] subsd xmm2, [esp + nb104_jzM] subsd xmm3, [esp + nb104_jxH1] subsd xmm4, [esp + nb104_jyH1] subsd xmm5, [esp + nb104_jzH1] movapd [esp + nb104_dxH2M], xmm0 movapd [esp + nb104_dyH2M], xmm1 movapd [esp + nb104_dzH2M], xmm2 mulsd xmm0, xmm0 mulsd xmm1, xmm1 mulsd xmm2, xmm2 movapd [esp + nb104_dxH2H1], xmm3 movapd [esp + nb104_dyH2H1], xmm4 movapd [esp + nb104_dzH2H1], xmm5 mulsd xmm3, xmm3 mulsd xmm4, xmm4 mulsd xmm5, xmm5 addsd xmm0, xmm1 addsd xmm0, xmm2 addsd xmm4, xmm3 addsd xmm4, xmm5 movapd [esp + nb104_rsqH2M], xmm0 movapd [esp + nb104_rsqH2H1], xmm4 movapd xmm0, [esp + nb104_ixH2] movapd xmm1, [esp + nb104_iyH2] movapd xmm2, [esp + nb104_izH2] subsd xmm0, [esp + nb104_jxH2] subsd xmm1, [esp + nb104_jyH2] subsd xmm2, [esp + nb104_jzH2] movapd [esp + nb104_dxH2H2], xmm0 movapd [esp + nb104_dyH2H2], xmm1 movapd [esp + nb104_dzH2H2], xmm2 mulsd xmm0, xmm0 mulsd xmm1, xmm1 mulsd xmm2, xmm2 addsd xmm0, xmm1 addsd xmm0, xmm2 movapd [esp + nb104_rsqH2H2], xmm0 ;# start doing invsqrt use rsq values in xmm0, xmm4 cvtsd2ss xmm1, xmm0 cvtsd2ss xmm5, xmm4 rsqrtss xmm1, xmm1 rsqrtss xmm5, xmm5 cvtss2sd xmm1, xmm1 cvtss2sd xmm5, xmm5 movapd xmm2, xmm1 ;# copy of luA movapd xmm6, xmm5 ;# copy of luB mulsd xmm1, xmm1 ;# luA*luA mulsd xmm5, xmm5 ;# luB*luB movapd xmm3, [esp + nb104_three] mulsd xmm1, xmm0 ;# rsqA*luA*luA mulsd xmm5, xmm4 ;# rsqB*luB*luB movapd xmm7, xmm3 subsd xmm3, xmm1 ;# 3-rsqA*luA*luA subsd xmm7, xmm5 ;# 3-rsqB*luB*luB mulsd xmm3, xmm2 ;# luA*(3-rsqA*luA*luA) mulsd xmm7, xmm6 ;# luB*(3-rsqB*luB*luB) mulsd xmm3, [esp + nb104_half] ;# iter1 mulsd xmm7, [esp + nb104_half] ;# iter1 movapd xmm2, xmm3 ;# copy of luA movapd xmm6, xmm7 ;# copy of luB mulsd xmm3, xmm3 ;# luA*luA mulsd xmm7, xmm7 ;# luB*luB movapd xmm1, [esp + nb104_three] mulsd xmm3, xmm0 ;# rsqA*luA*luA mulsd xmm7, xmm4 ;# rsqB*luB*luB movapd xmm5, xmm1 subsd xmm1, xmm3 ;# 3-rsqA*luA*luA subsd xmm5, xmm7 ;# 3-rsqB*luB*luB mulsd xmm1, xmm2 ;# luA*(3-rsqA*luA*luA) mulsd xmm5, xmm6 ;# luB*(3-rsqB*luB*luB) mulsd xmm1, [esp + nb104_half] ;# rinv mulsd xmm5, [esp + nb104_half] ;# rinv movapd [esp + nb104_rinvH2H2], xmm1 movapd [esp + nb104_rinvH2H1], xmm5 movapd xmm0, [esp + nb104_rsqMM] movapd xmm4, [esp + nb104_rsqMH1] cvtsd2ss xmm1, xmm0 cvtsd2ss xmm5, xmm4 rsqrtss xmm1, xmm1 rsqrtss xmm5, xmm5 cvtss2sd xmm1, xmm1 cvtss2sd xmm5, xmm5 movapd xmm2, xmm1 ;# copy of luA movapd xmm6, xmm5 ;# copy of luB mulsd xmm1, xmm1 ;# luA*luA mulsd xmm5, xmm5 ;# luB*luB movapd xmm3, [esp + nb104_three] mulsd xmm1, xmm0 ;# rsqA*luA*luA mulsd xmm5, xmm4 ;# rsqB*luB*luB movapd xmm7, xmm3 subsd xmm3, xmm1 ;# 3-rsqA*luA*luA subsd xmm7, xmm5 ;# 3-rsqB*luB*luB mulsd xmm3, xmm2 ;# luA*(3-rsqA*luA*luA) mulsd xmm7, xmm6 ;# luB*(3-rsqB*luB*luB) mulsd xmm3, [esp + nb104_half] ;# iter1 of mulsd xmm7, [esp + nb104_half] ;# iter1 of movapd xmm2, xmm3 ;# copy of luA movapd xmm6, xmm7 ;# copy of luB mulsd xmm3, xmm3 ;# luA*luA mulsd xmm7, xmm7 ;# luB*luB movapd xmm1, [esp + nb104_three] mulsd xmm3, xmm0 ;# rsqA*luA*luA mulsd xmm7, xmm4 ;# rsqB*luB*luB movapd xmm5, xmm1 subsd xmm1, xmm3 ;# 3-rsqA*luA*luA subsd xmm5, xmm7 ;# 3-rsqB*luB*luB mulsd xmm1, xmm2 ;# luA*(3-rsqA*luA*luA) mulsd xmm5, xmm6 ;# luB*(3-rsqB*luB*luB) mulsd xmm1, [esp + nb104_half] ;# rinv
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