nb_kernel304_ia32_sse2.intel_syntax.s
来自「最著名最快的分子模拟软件」· S 代码 · 共 2,226 行 · 第 1/5 页
S
2,226 行
addpd xmm7, xmm6 addpd xmm7, xmm5 ;# xmm7=FF mulpd xmm5, xmm1 ;# xmm5=eps*Fp addpd xmm5, xmm4 ;# xmm5=VV mulpd xmm5, xmm3 ;# vcoul=qq*VV mulpd xmm3, xmm7 ;# fijC=FF*qq ;# at this point mm5 contains vcoul and xmm3 fijC addpd xmm5, [esp + nb304_vctot] movapd [esp + nb304_vctot], xmm5 xorpd xmm1, xmm1 mulpd xmm3, [esp + nb304_tsc] mulpd xmm3, xmm0 subpd xmm1, xmm3 movapd xmm0, xmm1 movapd xmm2, xmm1 movapd xmm3, [esp + nb304_fjxH1] movapd xmm4, [esp + nb304_fjyH1] movapd xmm5, [esp + nb304_fjzH1] mulpd xmm0, [esp + nb304_dxH2H1] mulpd xmm1, [esp + nb304_dyH2H1] mulpd xmm2, [esp + nb304_dzH2H1] subpd xmm3, xmm0 subpd xmm4, xmm1 subpd xmm5, xmm2 addpd xmm0, [esp + nb304_fixH2] addpd xmm1, [esp + nb304_fiyH2] addpd xmm2, [esp + nb304_fizH2] movapd [esp + nb304_fjxH1], xmm3 movapd [esp + nb304_fjyH1], xmm4 movapd [esp + nb304_fjzH1], xmm5 movapd [esp + nb304_fixH2], xmm0 movapd [esp + nb304_fiyH2], xmm1 movapd [esp + nb304_fizH2], xmm2 ;# H2-H2 interaction movapd xmm0, [esp + nb304_rinvH2H2] movapd xmm1, xmm0 mulpd xmm1, [esp + nb304_rsqH2H2] ;# xmm1=r mulpd xmm1, [esp + nb304_tsc] cvttpd2pi mm6, xmm1 ;# mm6 = lu idx cvtpi2pd xmm6, mm6 subpd xmm1, xmm6 ;# xmm1=eps movapd xmm2, xmm1 mulpd xmm2, xmm2 ;# xmm2=eps2 pslld mm6, 2 ;# idx *= 4 mov esi, [ebp + nb304_VFtab] movd eax, mm6 psrlq mm6, 32 movd ebx, mm6 ;# indices in eax/ebx movlpd xmm4, [esi + eax*8] ;# Y1 movlpd xmm3, [esi + ebx*8] ;# Y2 movhpd xmm4, [esi + eax*8 + 8] ;# Y1 F1 movhpd xmm3, [esi + ebx*8 + 8] ;# Y2 F2 movapd xmm5, xmm4 unpcklpd xmm4, xmm3 ;# Y1 Y2 unpckhpd xmm5, xmm3 ;# F1 F2 movlpd xmm6, [esi + eax*8 + 16] ;# G1 movlpd xmm3, [esi + ebx*8 + 16] ;# G2 movhpd xmm6, [esi + eax*8 + 24] ;# G1 H1 movhpd xmm3, [esi + ebx*8 + 24] ;# G2 H2 movapd xmm7, xmm6 unpcklpd xmm6, xmm3 ;# G1 G2 unpckhpd xmm7, xmm3 ;# H1 H2 ;# coulomb table ready, in xmm4-xmm7 mulpd xmm6, xmm1 ;# xmm6=Geps mulpd xmm7, xmm2 ;# xmm7=Heps2 addpd xmm5, xmm6 addpd xmm5, xmm7 ;# xmm5=Fp mulpd xmm7, [esp + nb304_two] ;# two*Heps2 movapd xmm3, [esp + nb304_qqHH] addpd xmm7, xmm6 addpd xmm7, xmm5 ;# xmm7=FF mulpd xmm5, xmm1 ;# xmm5=eps*Fp addpd xmm5, xmm4 ;# xmm5=VV mulpd xmm5, xmm3 ;# vcoul=qq*VV mulpd xmm3, xmm7 ;# fijC=FF*qq ;# at this point mm5 contains vcoul and xmm3 fijC addpd xmm5, [esp + nb304_vctot] movapd [esp + nb304_vctot], xmm5 xorpd xmm1, xmm1 mulpd xmm3, [esp + nb304_tsc] mulpd xmm3, xmm0 subpd xmm1, xmm3 movapd xmm0, xmm1 movapd xmm2, xmm1 movapd xmm3, [esp + nb304_fjxH2] movapd xmm4, [esp + nb304_fjyH2] movapd xmm5, [esp + nb304_fjzH2] mulpd xmm0, [esp + nb304_dxH2H2] mulpd xmm1, [esp + nb304_dyH2H2] mulpd xmm2, [esp + nb304_dzH2H2] subpd xmm3, xmm0 subpd xmm4, xmm1 subpd xmm5, xmm2 addpd xmm0, [esp + nb304_fixH2] addpd xmm1, [esp + nb304_fiyH2] addpd xmm2, [esp + nb304_fizH2] movapd [esp + nb304_fjxH2], xmm3 movapd [esp + nb304_fjyH2], xmm4 movapd [esp + nb304_fjzH2], xmm5 movapd [esp + nb304_fixH2], xmm0 movapd [esp + nb304_fiyH2], xmm1 movapd [esp + nb304_fizH2], xmm2 mov edi, [ebp + nb304_faction] movd eax, mm0 movd ebx, mm1 ;# 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 + nb304_fjxH1] addpd xmm1, [esp + nb304_fjyH1] addpd xmm2, [esp + nb304_fjzH1] addpd xmm3, [esp + nb304_fjxH2] addpd xmm4, [esp + nb304_fjyH2] addpd xmm5, [esp + nb304_fjzH2] addpd xmm6, [esp + nb304_fjxM] addpd xmm7, [esp + nb304_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 + nb304_fjzM] movlpd [edi + eax*8 + 88], xmm0 movhpd [edi + ebx*8 + 88], xmm0 ;# should we do one more iteration? sub dword ptr [esp + nb304_innerk], 2 jl .nb304_checksingle jmp .nb304_unroll_loop.nb304_checksingle: mov edx, [esp + nb304_innerk] and edx, 1 jnz .nb304_dosingle jmp .nb304_updateouterdata.nb304_dosingle: mov edx, [esp + nb304_innerjjnr] ;# pointer to jjnr[k] mov eax, [edx] mov esi, [ebp + nb304_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 + nb304_jxH1], xmm2 movapd [esp + nb304_jyH1], xmm3 movapd [esp + nb304_jzH1], xmm4 movapd [esp + nb304_jxH2], xmm5 movapd [esp + nb304_jyH2], xmm6 movapd [esp + nb304_jzH2], xmm7 movlpd xmm2, [esi + eax*8 + 72] movlpd xmm3, [esi + eax*8 + 80] movlpd xmm4, [esi + eax*8 + 88] movapd [esp + nb304_jxM], xmm2 movapd [esp + nb304_jyM], xmm3 movapd [esp + nb304_jzM], xmm4 movapd xmm0, [esp + nb304_ixM] movapd xmm1, [esp + nb304_iyM] movapd xmm2, [esp + nb304_izM] movapd xmm3, [esp + nb304_ixM] movapd xmm4, [esp + nb304_iyM] movapd xmm5, [esp + nb304_izM] subsd xmm0, [esp + nb304_jxM] subsd xmm1, [esp + nb304_jyM] subsd xmm2, [esp + nb304_jzM] subsd xmm3, [esp + nb304_jxH1] subsd xmm4, [esp + nb304_jyH1] subsd xmm5, [esp + nb304_jzH1] movapd [esp + nb304_dxMM], xmm0 movapd [esp + nb304_dyMM], xmm1 movapd [esp + nb304_dzMM], xmm2 mulsd xmm0, xmm0 mulsd xmm1, xmm1 mulsd xmm2, xmm2 movapd [esp + nb304_dxMH1], xmm3 movapd [esp + nb304_dyMH1], xmm4 movapd [esp + nb304_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 + nb304_rsqMM], xmm0 movapd [esp + nb304_rsqMH1], xmm3 movapd xmm0, [esp + nb304_ixM] movapd xmm1, [esp + nb304_iyM] movapd xmm2, [esp + nb304_izM] movapd xmm3, [esp + nb304_ixH1] movapd xmm4, [esp + nb304_iyH1] movapd xmm5, [esp + nb304_izH1] subsd xmm0, [esp + nb304_jxH2] subsd xmm1, [esp + nb304_jyH2] subsd xmm2, [esp + nb304_jzH2] subsd xmm3, [esp + nb304_jxM] subsd xmm4, [esp + nb304_jyM] subsd xmm5, [esp + nb304_jzM] movapd [esp + nb304_dxMH2], xmm0 movapd [esp + nb304_dyMH2], xmm1 movapd [esp + nb304_dzMH2], xmm2 mulsd xmm0, xmm0 mulsd xmm1, xmm1 mulsd xmm2, xmm2 movapd [esp + nb304_dxH1M], xmm3 movapd [esp + nb304_dyH1M], xmm4 movapd [esp + nb304_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 + nb304_rsqMH2], xmm0 movapd [esp + nb304_rsqH1M], xmm3 movapd xmm0, [esp + nb304_ixH1] movapd xmm1, [esp + nb304_iyH1] movapd xmm2, [esp + nb304_izH1] movapd xmm3, [esp + nb304_ixH1] movapd xmm4, [esp + nb304_iyH1] movapd xmm5, [esp + nb304_izH1] subsd xmm0, [esp + nb304_jxH1] subsd xmm1, [esp + nb304_jyH1] subsd xmm2, [esp + nb304_jzH1] subsd xmm3, [esp + nb304_jxH2] subsd xmm4, [esp + nb304_jyH2] subsd xmm5, [esp + nb304_jzH2] movapd [esp + nb304_dxH1H1], xmm0 movapd [esp + nb304_dyH1H1], xmm1 movapd [esp + nb304_dzH1H1], xmm2 mulsd xmm0, xmm0 mulsd xmm1, xmm1 mulsd xmm2, xmm2 movapd [esp + nb304_dxH1H2], xmm3 movapd [esp + nb304_dyH1H2], xmm4 movapd [esp + nb304_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 + nb304_rsqH1H1], xmm0 movapd [esp + nb304_rsqH1H2], xmm3 movapd xmm0, [esp + nb304_ixH2] movapd xmm1, [esp + nb304_iyH2] movapd xmm2, [esp + nb304_izH2] movapd xmm3, [esp + nb304_ixH2] movapd xmm4, [esp + nb304_iyH2] movapd xmm5, [esp + nb304_izH2] subsd xmm0, [esp + nb304_jxM] subsd xmm1, [esp + nb304_jyM] subsd xmm2, [esp + nb304_jzM] subsd xmm3, [esp + nb304_jxH1] subsd xmm4, [esp + nb304_jyH1] subsd xmm5, [esp + nb304_jzH1] movapd [esp + nb304_dxH2M], xmm0 movapd [esp + nb304_dyH2M], xmm1 movapd [esp + nb304_dzH2M], xmm2 mulsd xmm0, xmm0 mulsd xmm1, xmm1 mulsd xmm2, xmm2 movapd [esp + nb304_dxH2H1], xmm3 movapd [esp + nb304_dyH2H1], xmm4 movapd [esp + nb304_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 + nb304_rsqH2M], xmm0 movapd [esp + nb304_rsqH2H1], xmm4 movapd xmm0, [esp + nb304_ixH2] movapd xmm1, [esp + nb304_iyH2] movapd xmm2, [esp + nb304_izH2] subsd xmm0, [esp + nb304_jxH2] subsd xmm1, [esp + nb304_jyH2] subsd xmm2, [esp + nb304_jzH2] movapd [esp + nb304_dxH2H2], xmm0 movapd [esp + nb304_dyH2H2], xmm1 movapd [esp + nb304_dzH2H2], xmm2 mulsd xmm0, xmm0 mulsd xmm1, xmm1 mulsd xmm2, xmm2 addsd xmm0, xmm1 addsd xmm0, xmm2 movapd [esp + nb304_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 + nb304_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 + nb304_half] ;# iter1 mulsd xmm7, [esp + nb304_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 + nb304_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 + nb304_half] ;# rinv mulsd xmm5, [esp + nb304_half] ;# rinv movapd [esp + nb304_rinvH2H2], xmm1 movapd [esp + nb304_rinvH2H1], xmm5 movapd xmm0, [esp + nb304_rsqMM] movapd xmm4, [esp + nb304_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 + nb304_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 + nb304_half] ;# iter1 of mulsd xmm7, [esp + nb304_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 + nb304_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 + nb304_half] ;# rinv mulsd xmm5, [esp + nb304_half] ;# rinv movapd [esp + nb304_rinvMM], xmm1 movapd [esp + nb304_rinvMH1], xmm5 movapd xmm0, [esp + nb304_rsqMH2] movapd xmm4, [esp + nb304_rsqH1M] 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 + nb304_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)
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