nb_kernel134_ia32_sse.intel_syntax.s
来自「最著名最快的分子模拟软件」· S 代码 · 共 2,207 行 · 第 1/5 页
S
2,207 行
lea edx, [edx + edx*2] ;# move j coordinates to local temp variables ;# Load Ox, Oy, Oz, H1x movlps xmm1, [esi + eax*4] ;# Oxa Oya - - movlps xmm4, [esi + ecx*4] ;# Oxc Oyc - - movhps xmm1, [esi + ebx*4] ;# Oxa Oya Oxb Oyb movhps xmm4, [esi + edx*4] ;# Oxc Oyc Oxd Oyd movaps xmm0, xmm1 ;# Oxa Oya Oxb Oyb shufps xmm0, xmm4, 0x88 ;# Oxa Oxb Oxc Oxd shufps xmm1, xmm4, 0xDD ;# Oya Oyb Oyc Oyd movlps xmm3, [esi + eax*4 + 8] ;# Oza H1xa - - movlps xmm5, [esi + ecx*4 + 8] ;# Ozc H1xc - - movhps xmm3, [esi + ebx*4 + 8] ;# Oza H1xa Ozb H1xb movhps xmm5, [esi + edx*4 + 8] ;# Ozc H1xc Ozd H1xd movaps xmm2, xmm3 ;# Oza H1xa Ozb H1xb shufps xmm2, xmm5, 0x88 ;# Oza Ozb Ozc Ozd shufps xmm3, xmm5, 0xDD ;# H1xa H1xb H1xc H1xd ;# coordinates in xmm0-xmm3 ;# store movaps [esp + nb134_jxO], xmm0 movaps [esp + nb134_jyO], xmm1 movaps [esp + nb134_jzO], xmm2 movaps [esp + nb134_jxH1], xmm3 ;# Load H1y H1z H2x H2y movlps xmm1, [esi + eax*4 + 16] movlps xmm4, [esi + ecx*4 + 16] movhps xmm1, [esi + ebx*4 + 16] movhps xmm4, [esi + edx*4 + 16] movaps xmm0, xmm1 shufps xmm0, xmm4, 0x88 shufps xmm1, xmm4, 0xDD movlps xmm3, [esi + eax*4 + 24] movlps xmm5, [esi + ecx*4 + 24] movhps xmm3, [esi + ebx*4 + 24] movhps xmm5, [esi + edx*4 + 24] movaps xmm2, xmm3 shufps xmm2, xmm5, 0x88 shufps xmm3, xmm5, 0xDD ;# coordinates in xmm0-xmm3 ;# store movaps [esp + nb134_jyH1], xmm0 movaps [esp + nb134_jzH1], xmm1 movaps [esp + nb134_jxH2], xmm2 movaps [esp + nb134_jyH2], xmm3 ;# Load H2z Mx My Mz movlps xmm1, [esi + eax*4 + 32] movlps xmm4, [esi + ecx*4 + 32] movhps xmm1, [esi + ebx*4 + 32] movhps xmm4, [esi + edx*4 + 32] movaps xmm0, xmm1 shufps xmm0, xmm4, 0x88 shufps xmm1, xmm4, 0xDD movlps xmm3, [esi + eax*4 + 40] movlps xmm5, [esi + ecx*4 + 40] movhps xmm3, [esi + ebx*4 + 40] movhps xmm5, [esi + edx*4 + 40] movaps xmm2, xmm3 shufps xmm2, xmm5, 0x88 shufps xmm3, xmm5, 0xDD ;# coordinates in xmm0-xmm3 ;# store movaps [esp + nb134_jzH2], xmm0 movaps [esp + nb134_jxM], xmm1 movaps [esp + nb134_jyM], xmm2 movaps [esp + nb134_jzM], xmm3 ;# start calculating pairwise distances movaps xmm0, [esp + nb134_ixO] movaps xmm1, [esp + nb134_iyO] movaps xmm2, [esp + nb134_izO] movaps xmm3, [esp + nb134_ixH1] movaps xmm4, [esp + nb134_iyH1] movaps xmm5, [esp + nb134_izH1] subps xmm0, [esp + nb134_jxO] subps xmm1, [esp + nb134_jyO] subps xmm2, [esp + nb134_jzO] subps xmm3, [esp + nb134_jxH1] subps xmm4, [esp + nb134_jyH1] subps xmm5, [esp + nb134_jzH1] movaps [esp + nb134_dxOO], xmm0 movaps [esp + nb134_dyOO], xmm1 movaps [esp + nb134_dzOO], xmm2 mulps xmm0, xmm0 mulps xmm1, xmm1 mulps xmm2, xmm2 movaps [esp + nb134_dxH1H1], xmm3 movaps [esp + nb134_dyH1H1], xmm4 movaps [esp + nb134_dzH1H1], xmm5 mulps xmm3, xmm3 mulps xmm4, xmm4 mulps xmm5, xmm5 addps xmm0, xmm1 addps xmm0, xmm2 addps xmm3, xmm4 addps xmm3, xmm5 movaps [esp + nb134_rsqOO], xmm0 movaps [esp + nb134_rsqH1H1], xmm3 movaps xmm0, [esp + nb134_ixH1] movaps xmm1, [esp + nb134_iyH1] movaps xmm2, [esp + nb134_izH1] movaps xmm3, xmm0 movaps xmm4, xmm1 movaps xmm5, xmm2 subps xmm0, [esp + nb134_jxH2] subps xmm1, [esp + nb134_jyH2] subps xmm2, [esp + nb134_jzH2] subps xmm3, [esp + nb134_jxM] subps xmm4, [esp + nb134_jyM] subps xmm5, [esp + nb134_jzM] movaps [esp + nb134_dxH1H2], xmm0 movaps [esp + nb134_dyH1H2], xmm1 movaps [esp + nb134_dzH1H2], xmm2 mulps xmm0, xmm0 mulps xmm1, xmm1 mulps xmm2, xmm2 movaps [esp + nb134_dxH1M], xmm3 movaps [esp + nb134_dyH1M], xmm4 movaps [esp + nb134_dzH1M], xmm5 mulps xmm3, xmm3 mulps xmm4, xmm4 mulps xmm5, xmm5 addps xmm0, xmm1 addps xmm0, xmm2 addps xmm3, xmm4 addps xmm3, xmm5 movaps [esp + nb134_rsqH1H2], xmm0 movaps [esp + nb134_rsqH1M], xmm3 movaps xmm0, [esp + nb134_ixH2] movaps xmm1, [esp + nb134_iyH2] movaps xmm2, [esp + nb134_izH2] movaps xmm3, xmm0 movaps xmm4, xmm1 movaps xmm5, xmm2 subps xmm0, [esp + nb134_jxH1] subps xmm1, [esp + nb134_jyH1] subps xmm2, [esp + nb134_jzH1] subps xmm3, [esp + nb134_jxH2] subps xmm4, [esp + nb134_jyH2] subps xmm5, [esp + nb134_jzH2] movaps [esp + nb134_dxH2H1], xmm0 movaps [esp + nb134_dyH2H1], xmm1 movaps [esp + nb134_dzH2H1], xmm2 mulps xmm0, xmm0 mulps xmm1, xmm1 mulps xmm2, xmm2 movaps [esp + nb134_dxH2H2], xmm3 movaps [esp + nb134_dyH2H2], xmm4 movaps [esp + nb134_dzH2H2], xmm5 mulps xmm3, xmm3 mulps xmm4, xmm4 mulps xmm5, xmm5 addps xmm0, xmm1 addps xmm0, xmm2 addps xmm3, xmm4 addps xmm3, xmm5 movaps [esp + nb134_rsqH2H1], xmm0 movaps [esp + nb134_rsqH2H2], xmm3 movaps xmm0, [esp + nb134_ixH2] movaps xmm1, [esp + nb134_iyH2] movaps xmm2, [esp + nb134_izH2] movaps xmm3, [esp + nb134_ixM] movaps xmm4, [esp + nb134_iyM] movaps xmm5, [esp + nb134_izM] subps xmm0, [esp + nb134_jxM] subps xmm1, [esp + nb134_jyM] subps xmm2, [esp + nb134_jzM] subps xmm3, [esp + nb134_jxH1] subps xmm4, [esp + nb134_jyH1] subps xmm5, [esp + nb134_jzH1] movaps [esp + nb134_dxH2M], xmm0 movaps [esp + nb134_dyH2M], xmm1 movaps [esp + nb134_dzH2M], xmm2 mulps xmm0, xmm0 mulps xmm1, xmm1 mulps xmm2, xmm2 movaps [esp + nb134_dxMH1], xmm3 movaps [esp + nb134_dyMH1], xmm4 movaps [esp + nb134_dzMH1], xmm5 mulps xmm3, xmm3 mulps xmm4, xmm4 mulps xmm5, xmm5 addps xmm0, xmm1 addps xmm0, xmm2 addps xmm4, xmm3 addps xmm4, xmm5 movaps [esp + nb134_rsqH2M], xmm0 movaps [esp + nb134_rsqMH1], xmm4 movaps xmm0, [esp + nb134_ixM] movaps xmm1, [esp + nb134_iyM] movaps xmm2, [esp + nb134_izM] movaps xmm3, xmm0 movaps xmm4, xmm1 movaps xmm5, xmm2 subps xmm0, [esp + nb134_jxH2] subps xmm1, [esp + nb134_jyH2] subps xmm2, [esp + nb134_jzH2] subps xmm3, [esp + nb134_jxM] subps xmm4, [esp + nb134_jyM] subps xmm5, [esp + nb134_jzM] movaps [esp + nb134_dxMH2], xmm0 movaps [esp + nb134_dyMH2], xmm1 movaps [esp + nb134_dzMH2], xmm2 mulps xmm0, xmm0 mulps xmm1, xmm1 mulps xmm2, xmm2 movaps [esp + nb134_dxMM], xmm3 movaps [esp + nb134_dyMM], xmm4 movaps [esp + nb134_dzMM], xmm5 mulps xmm3, xmm3 mulps xmm4, xmm4 mulps xmm5, xmm5 addps xmm0, xmm1 addps xmm0, xmm2 addps xmm4, xmm3 addps xmm4, xmm5 movaps [esp + nb134_rsqMH2], xmm0 movaps [esp + nb134_rsqMM], xmm4 ;# start by doing invsqrt for OO rsqrtps xmm1, [esp + nb134_rsqOO] movaps xmm2, xmm1 mulps xmm1, xmm1 movaps xmm3, [esp + nb134_three] mulps xmm1, [esp + nb134_rsqOO] subps xmm3, xmm1 mulps xmm3, xmm2 mulps xmm3, [esp + nb134_half] movaps [esp + nb134_rinvOO], xmm3 ;# more invsqrt ops - do two at a time. rsqrtps xmm1, [esp + nb134_rsqH1H1] rsqrtps xmm5, [esp + nb134_rsqH1H2] movaps xmm2, xmm1 movaps xmm6, xmm5 mulps xmm1, xmm1 mulps xmm5, xmm5 movaps xmm3, [esp + nb134_three] movaps xmm7, xmm3 mulps xmm1, [esp + nb134_rsqH1H1] mulps xmm5, [esp + nb134_rsqH1H2] subps xmm3, xmm1 subps xmm7, xmm5 mulps xmm3, xmm2 mulps xmm7, xmm6 mulps xmm3, [esp + nb134_half] ;# rinvH1H1 mulps xmm7, [esp + nb134_half] ;# rinvH1H2 movaps [esp + nb134_rinvH1H1], xmm3 movaps [esp + nb134_rinvH1H2], xmm7 rsqrtps xmm1, [esp + nb134_rsqH1M] rsqrtps xmm5, [esp + nb134_rsqH2H1] movaps xmm2, xmm1 movaps xmm6, xmm5 mulps xmm1, xmm1 mulps xmm5, xmm5 movaps xmm3, [esp + nb134_three] movaps xmm7, xmm3 mulps xmm1, [esp + nb134_rsqH1M] mulps xmm5, [esp + nb134_rsqH2H1] subps xmm3, xmm1 subps xmm7, xmm5 mulps xmm3, xmm2 mulps xmm7, xmm6 mulps xmm3, [esp + nb134_half] mulps xmm7, [esp + nb134_half] movaps [esp + nb134_rinvH1M], xmm3 movaps [esp + nb134_rinvH2H1], xmm7 rsqrtps xmm1, [esp + nb134_rsqH2H2] rsqrtps xmm5, [esp + nb134_rsqH2M] movaps xmm2, xmm1 movaps xmm6, xmm5 mulps xmm1, xmm1 mulps xmm5, xmm5 movaps xmm3, [esp + nb134_three] movaps xmm7, xmm3 mulps xmm1, [esp + nb134_rsqH2H2] mulps xmm5, [esp + nb134_rsqH2M] subps xmm3, xmm1 subps xmm7, xmm5 mulps xmm3, xmm2 mulps xmm7, xmm6 mulps xmm3, [esp + nb134_half] mulps xmm7, [esp + nb134_half] movaps [esp + nb134_rinvH2H2], xmm3 movaps [esp + nb134_rinvH2M], xmm7 rsqrtps xmm1, [esp + nb134_rsqMH1] rsqrtps xmm5, [esp + nb134_rsqMH2] movaps xmm2, xmm1 movaps xmm6, xmm5 mulps xmm1, xmm1 mulps xmm5, xmm5 movaps xmm3, [esp + nb134_three] movaps xmm7, xmm3 mulps xmm1, [esp + nb134_rsqMH1] mulps xmm5, [esp + nb134_rsqMH2] subps xmm3, xmm1 subps xmm7, xmm5 mulps xmm3, xmm2 mulps xmm7, xmm6 mulps xmm3, [esp + nb134_half] mulps xmm7, [esp + nb134_half] movaps [esp + nb134_rinvMH1], xmm3 movaps [esp + nb134_rinvMH2], xmm7 rsqrtps xmm1, [esp + nb134_rsqMM] movaps xmm2, xmm1 mulps xmm1, xmm1 movaps xmm3, [esp + nb134_three] mulps xmm1, [esp + nb134_rsqMM] subps xmm3, xmm1 mulps xmm3, xmm2 mulps xmm3, [esp + nb134_half] movaps [esp + nb134_rinvMM], xmm3 ;# start with OO LJ interaction movaps xmm0, [esp + nb134_rinvOO] movaps xmm1, xmm0 mulps xmm1, [esp + nb134_rsqOO] ;# xmm1=r mulps xmm1, [esp + nb134_tsc] movhlps xmm2, xmm1 cvttps2pi mm6, xmm1 cvttps2pi mm7, xmm2 ;# mm6/mm7 contain lu indices cvtpi2ps xmm3, mm6 cvtpi2ps xmm2, mm7 movlhps xmm3, xmm2 subps xmm1, xmm3 ;# xmm1=eps movaps xmm2, xmm1 mulps xmm2, xmm2 ;# xmm2=eps2 pslld mm6, 3 pslld mm7, 3 movd mm0, eax movd mm1, ebx movd mm2, ecx movd mm3, edx movd eax, mm6 psrlq mm6, 32 movd ecx, mm7 psrlq mm7, 32 movd ebx, mm6 movd edx, mm7 mov esi, [ebp + nb134_VFtab] ;# dispersion movlps xmm5, [esi + eax*4] movlps xmm7, [esi + ecx*4] movhps xmm5, [esi + ebx*4] movhps xmm7, [esi + edx*4] ;# got half table movaps xmm4, xmm5 shufps xmm4, xmm7, 136 ;# constant 10001000 shufps xmm5, xmm7, 221 ;# constant 11011101 movlps xmm7, [esi + eax*4 + 8] movlps xmm3, [esi + ecx*4 + 8] movhps xmm7, [esi + ebx*4 + 8] movhps xmm3, [esi + edx*4 + 8] ;# other half of table movaps xmm6, xmm7 shufps xmm6, xmm3, 136 ;# constant 10001000 shufps xmm7, xmm3, 221 ;# constant 11011101 ;# dispersion table ready, in xmm4-xmm7 mulps xmm6, xmm1 ;# xmm6=Geps mulps xmm7, xmm2 ;# xmm7=Heps2 addps xmm5, xmm6 addps xmm5, xmm7 ;# xmm5=Fp mulps xmm7, [esp + nb134_two] ;# two*Heps2 addps xmm7, xmm6 addps xmm7, xmm5 ;# xmm7=FF mulps xmm5, xmm1 ;# xmm5=eps*Fp addps xmm5, xmm4 ;# xmm5=VV movaps xmm4, [esp + nb134_c6] mulps xmm7, xmm4 ;# fijD mulps xmm5, xmm4 ;# Vvdw6 movaps [esp + nb134_fstmp], xmm7 addps xmm5, [esp + nb134_Vvdwtot] movaps [esp + nb134_Vvdwtot], xmm5 ;# repulsion movlps xmm5, [esi + eax*4 + 16] movlps xmm7, [esi + ecx*4 + 16] movhps xmm5, [esi + ebx*4 + 16] movhps xmm7, [esi + edx*4 + 16] ;# got half table movaps xmm4, xmm5 shufps xmm4, xmm7, 136 ;# constant 10001000 shufps xmm5, xmm7, 221 ;# constant 11011101 movlps xmm7, [esi + eax*4 + 24] movlps xmm3, [esi + ecx*4 + 24] movhps xmm7, [esi + ebx*4 + 24] movhps xmm3, [esi + edx*4 + 24] ;# other half of table movaps xmm6, xmm7 shufps xmm6, xmm3, 136 ;# constant 10001000 shufps xmm7, xmm3, 221 ;# constant 11011101 ;# repulsion table ready, in xmm4-xmm7 mulps xmm6, xmm1 ;# xmm6=Geps mulps xmm7, xmm2 ;# xmm7=Heps2 addps xmm5, xmm6 addps xmm5, xmm7 ;# xmm5=Fp mulps xmm7, [esp + nb134_two] ;# two*Heps2 addps xmm7, xmm6 addps xmm7, xmm5 ;# xmm7=FF mulps xmm5, xmm1 ;# xmm5=eps*Fp addps xmm5, xmm4 ;# xmm5=VV movaps xmm4, [esp + nb134_c12] mulps xmm7, xmm4 ;# fijR mulps xmm5, xmm4 ;# Vvdw12 addps xmm7, [esp + nb134_fstmp] mulps xmm7, [esp + nb134_tsc] addps xmm5, [esp + nb134_Vvdwtot] movaps [esp + nb134_Vvdwtot], xmm5 xorps xmm2, xmm2 mulps xmm7, xmm0 subps xmm2, xmm7 movaps xmm0, xmm2 movaps xmm1, xmm2 movd eax, mm0 movd ebx, mm1 movd ecx, mm2 movd edx, mm3 xorps xmm3, xmm3 movaps xmm4, xmm3⌨️ 快捷键说明
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