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

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	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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