nb_kernel102_ia32_sse2.intel_syntax.s

来自「最著名最快的分子模拟软件」· S 代码 · 共 2,155 行 · 第 1/5 页

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	mulsd   xmm5, [esp + nb102_half] ;# rinv	movapd [esp + nb102_rinvOO], xmm1	movapd [esp + nb102_rinvOH1], xmm5	movapd xmm0, [esp + nb102_rsqOH2]	movapd xmm4, [esp + nb102_rsqH1O]		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 + nb102_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 + nb102_half] ;# iter1 	mulsd   xmm7, [esp + nb102_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 + nb102_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 + nb102_half] ;# rinv 	mulsd   xmm5, [esp + nb102_half] ;# rinv 	movapd [esp + nb102_rinvOH2], xmm1	movapd [esp + nb102_rinvH1O], xmm5	movapd xmm0, [esp + nb102_rsqH1H1]	movapd xmm4, [esp + nb102_rsqH1H2]		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 + nb102_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 + nb102_half] ;# iter1a 	mulsd   xmm7, [esp + nb102_half] ;# iter1b 	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 + nb102_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 + nb102_half] ;# rinv 	mulsd   xmm5, [esp + nb102_half] ;# rinv 	movapd [esp + nb102_rinvH1H1], xmm1	movapd [esp + nb102_rinvH1H2], xmm5	movapd xmm0, [esp + nb102_rsqH2O]	cvtsd2ss xmm1, xmm0		rsqrtss xmm1, xmm1	cvtss2sd xmm1, xmm1		movapd  xmm2, xmm1	;# copy of luA 	mulsd   xmm1, xmm1	;# luA*luA 	movapd  xmm3, [esp + nb102_three]	mulsd   xmm1, xmm0	;# rsqA*luA*luA 	subsd   xmm3, xmm1	;# 3-rsqA*luA*luA 	mulsd   xmm3, xmm2	;# luA*(3-rsqA*luA*luA) 	mulsd   xmm3, [esp + nb102_half] ;# iter1 	movapd  xmm2, xmm3	;# copy of luA 	mulsd   xmm3, xmm3	;# luA*luA 	movapd  xmm1, [esp + nb102_three]	mulsd   xmm3, xmm0	;# rsqA*luA*luA 	subsd   xmm1, xmm3	;# 3-rsqA*luA*luA 	mulsd   xmm1, xmm2	;# luA*(3-rsqA*luA*luA) 	mulsd   xmm1, [esp + nb102_half] ;# rinv 	movapd [esp + nb102_rinvH2O], xmm1	;# start with OO interaction 	movapd xmm0, [esp + nb102_rinvOO]	movapd xmm7, xmm0	mulsd  xmm0, xmm0	mulsd  xmm7, [esp + nb102_qqOO]	mulsd  xmm0, xmm7		addsd  xmm7, [esp + nb102_vctot] 	movapd xmm1, xmm0	movapd xmm2, xmm0	xorpd xmm3, xmm3	movapd xmm4, xmm3	movapd xmm5, xmm3	mulsd xmm0, [esp + nb102_dxOO]	mulsd xmm1, [esp + nb102_dyOO]	mulsd xmm2, [esp + nb102_dzOO]	subsd xmm3, xmm0	subsd xmm4, xmm1	subsd xmm5, xmm2	addsd xmm0, [esp + nb102_fixO]	addsd xmm1, [esp + nb102_fiyO]	addsd xmm2, [esp + nb102_fizO]	movlpd [esp + nb102_fjxO], xmm3	movlpd [esp + nb102_fjyO], xmm4	movlpd [esp + nb102_fjzO], xmm5	movlpd [esp + nb102_fixO], xmm0	movlpd [esp + nb102_fiyO], xmm1	movlpd [esp + nb102_fizO], xmm2	;# O-H1 interaction 	movapd xmm0, [esp + nb102_rinvOH1]	movapd xmm1, xmm0	mulsd xmm0, xmm0	mulsd xmm1, [esp + nb102_qqOH]	mulsd xmm0, xmm1	;# fsOH1  	addsd xmm7, xmm1	;# add to local vctot 	movapd xmm1, xmm0	movapd xmm2, xmm0		xorpd xmm3, xmm3	movapd xmm4, xmm3	movapd xmm5, xmm3	mulsd xmm0, [esp + nb102_dxOH1]	mulsd xmm1, [esp + nb102_dyOH1]	mulsd xmm2, [esp + nb102_dzOH1]	subsd xmm3, xmm0	subsd xmm4, xmm1	subsd xmm5, xmm2	addsd xmm0, [esp + nb102_fixO]	addsd xmm1, [esp + nb102_fiyO]	addsd xmm2, [esp + nb102_fizO]	movlpd [esp + nb102_fjxH1], xmm3	movlpd [esp + nb102_fjyH1], xmm4	movlpd [esp + nb102_fjzH1], xmm5	movlpd [esp + nb102_fixO], xmm0	movlpd [esp + nb102_fiyO], xmm1	movlpd [esp + nb102_fizO], xmm2	;# O-H2 interaction  	movapd xmm0, [esp + nb102_rinvOH2]	movapd xmm1, xmm0	mulsd xmm0, xmm0	mulsd xmm1, [esp + nb102_qqOH]	mulsd xmm0, xmm1	;# fsOH2  	addsd xmm7, xmm1	;# add to local vctot 	movapd xmm1, xmm0	movapd xmm2, xmm0		xorpd xmm3, xmm3	movapd xmm4, xmm3	movapd xmm5, xmm3	mulsd xmm0, [esp + nb102_dxOH2]	mulsd xmm1, [esp + nb102_dyOH2]	mulsd xmm2, [esp + nb102_dzOH2]	subsd xmm3, xmm0	subsd xmm4, xmm1	subsd xmm5, xmm2	addsd xmm0, [esp + nb102_fixO]	addsd xmm1, [esp + nb102_fiyO]	addsd xmm2, [esp + nb102_fizO]	movlpd [esp + nb102_fjxH2], xmm3	movlpd [esp + nb102_fjyH2], xmm4	movlpd [esp + nb102_fjzH2], xmm5	movlpd [esp + nb102_fixO], xmm0	movlpd [esp + nb102_fiyO], xmm1	movlpd [esp + nb102_fizO], xmm2	;# H1-O interaction 	movapd xmm0, [esp + nb102_rinvH1O]	movapd xmm1, xmm0	mulsd xmm0, xmm0	mulsd xmm1, [esp + nb102_qqOH]	mulsd xmm0, xmm1	;# fsH1O 	addsd xmm7, xmm1	;# add to local vctot 	movapd xmm1, xmm0	movapd xmm2, xmm0	movapd xmm3, [esp + nb102_fjxO]	movapd xmm4, [esp + nb102_fjyO]	movapd xmm5, [esp + nb102_fjzO]	mulsd xmm0, [esp + nb102_dxH1O]	mulsd xmm1, [esp + nb102_dyH1O]	mulsd xmm2, [esp + nb102_dzH1O]	subsd xmm3, xmm0	subsd xmm4, xmm1	subsd xmm5, xmm2	addsd xmm0, [esp + nb102_fixH1]	addsd xmm1, [esp + nb102_fiyH1]	addsd xmm2, [esp + nb102_fizH1]	movlpd [esp + nb102_fjxO], xmm3	movlpd [esp + nb102_fjyO], xmm4	movlpd [esp + nb102_fjzO], xmm5	movlpd [esp + nb102_fixH1], xmm0	movlpd [esp + nb102_fiyH1], xmm1	movlpd [esp + nb102_fizH1], xmm2	;# H1-H1 interaction 	movapd xmm0, [esp + nb102_rinvH1H1]	movapd xmm1, xmm0	mulsd xmm0, xmm0	mulsd xmm1, [esp + nb102_qqHH]	mulsd xmm0, xmm1	;# fsH1H1 	addsd xmm7, xmm1	;# add to local vctot 	movapd xmm1, xmm0	movapd xmm2, xmm0	movapd xmm3, [esp + nb102_fjxH1]	movapd xmm4, [esp + nb102_fjyH1]	movapd xmm5, [esp + nb102_fjzH1]	mulsd xmm0, [esp + nb102_dxH1H1]	mulsd xmm1, [esp + nb102_dyH1H1]	mulsd xmm2, [esp + nb102_dzH1H1]	subsd xmm3, xmm0	subsd xmm4, xmm1	subsd xmm5, xmm2	addsd xmm0, [esp + nb102_fixH1]	addsd xmm1, [esp + nb102_fiyH1]	addsd xmm2, [esp + nb102_fizH1]	movlpd [esp + nb102_fjxH1], xmm3	movlpd [esp + nb102_fjyH1], xmm4	movlpd [esp + nb102_fjzH1], xmm5	movlpd [esp + nb102_fixH1], xmm0	movlpd [esp + nb102_fiyH1], xmm1	movlpd [esp + nb102_fizH1], xmm2	;# H1-H2 interaction 	movapd xmm0, [esp + nb102_rinvH1H2]	movapd xmm1, xmm0	mulsd xmm0, xmm0	mulsd xmm1, [esp + nb102_qqHH]	mulsd xmm0, xmm1	;# fsOH2  	addsd xmm7, xmm1	;# add to local vctot 	movapd xmm1, xmm0	movapd xmm2, xmm0	movapd xmm3, [esp + nb102_fjxH2]	movapd xmm4, [esp + nb102_fjyH2]	movapd xmm5, [esp + nb102_fjzH2]	mulsd xmm0, [esp + nb102_dxH1H2]	mulsd xmm1, [esp + nb102_dyH1H2]	mulsd xmm2, [esp + nb102_dzH1H2]	subsd xmm3, xmm0	subsd xmm4, xmm1	subsd xmm5, xmm2	addsd xmm0, [esp + nb102_fixH1]	addsd xmm1, [esp + nb102_fiyH1]	addsd xmm2, [esp + nb102_fizH1]	movlpd [esp + nb102_fjxH2], xmm3	movlpd [esp + nb102_fjyH2], xmm4	movlpd [esp + nb102_fjzH2], xmm5	movlpd [esp + nb102_fixH1], xmm0	movlpd [esp + nb102_fiyH1], xmm1	movlpd [esp + nb102_fizH1], xmm2	;# H2-O interaction 	movapd xmm0, [esp + nb102_rinvH2O]	movapd xmm1, xmm0	mulsd xmm0, xmm0	mulsd xmm1, [esp + nb102_qqOH]	mulsd xmm0, xmm1	;# fsH2O 	addsd xmm7, xmm1	;# add to local vctot 	movapd xmm1, xmm0	movapd xmm2, xmm0	movapd xmm3, [esp + nb102_fjxO]	movapd xmm4, [esp + nb102_fjyO]	movapd xmm5, [esp + nb102_fjzO]	mulsd xmm0, [esp + nb102_dxH2O]	mulsd xmm1, [esp + nb102_dyH2O]	mulsd xmm2, [esp + nb102_dzH2O]	subsd xmm3, xmm0	subsd xmm4, xmm1	subsd xmm5, xmm2	addsd xmm0, [esp + nb102_fixH2]	addsd xmm1, [esp + nb102_fiyH2]	addsd xmm2, [esp + nb102_fizH2]	movlpd [esp + nb102_fjxO], xmm3	movlpd [esp + nb102_fjyO], xmm4	movlpd [esp + nb102_fjzO], xmm5	movlpd [esp + nb102_fixH2], xmm0	movlpd [esp + nb102_fiyH2], xmm1	movlpd [esp + nb102_fizH2], xmm2	;# H2-H1 interaction 	movapd xmm0, [esp + nb102_rinvH2H1]	movapd xmm1, xmm0	mulsd xmm0, xmm0	mulsd xmm1, [esp + nb102_qqHH]	mulsd xmm0, xmm1	;# fsH2H1 	addsd xmm7, xmm1	;# add to local vctot 	movapd xmm1, xmm0	movapd xmm2, xmm0	movapd xmm3, [esp + nb102_fjxH1]	movapd xmm4, [esp + nb102_fjyH1]	movapd xmm5, [esp + nb102_fjzH1]	mulsd xmm0, [esp + nb102_dxH2H1]	mulsd xmm1, [esp + nb102_dyH2H1]	mulsd xmm2, [esp + nb102_dzH2H1]	subsd xmm3, xmm0	subsd xmm4, xmm1	subsd xmm5, xmm2	addsd xmm0, [esp + nb102_fixH2]	addsd xmm1, [esp + nb102_fiyH2]	addsd xmm2, [esp + nb102_fizH2]	movlpd [esp + nb102_fjxH1], xmm3	movlpd [esp + nb102_fjyH1], xmm4	movlpd [esp + nb102_fjzH1], xmm5	movlpd [esp + nb102_fixH2], xmm0	movlpd [esp + nb102_fiyH2], xmm1	movlpd [esp + nb102_fizH2], xmm2	;# H2-H2 interaction 	movapd xmm0, [esp + nb102_rinvH2H2]	movapd xmm1, xmm0	mulsd xmm0, xmm0	mulsd xmm1, [esp + nb102_qqHH]	mulsd xmm0, xmm1	;# fsH2H2 	addsd xmm7, xmm1	;# add to local vctot 	movapd xmm1, xmm0	movsd [esp + nb102_vctot], xmm7	movapd xmm2, xmm0	movapd xmm3, [esp + nb102_fjxH2]	movapd xmm4, [esp + nb102_fjyH2]	movapd xmm5, [esp + nb102_fjzH2]	mulsd xmm0, [esp + nb102_dxH2H2]	mulsd xmm1, [esp + nb102_dyH2H2]	mulsd xmm2, [esp + nb102_dzH2H2]	subsd xmm3, xmm0	subsd xmm4, xmm1	subsd xmm5, xmm2	addsd xmm0, [esp + nb102_fixH2]	addsd xmm1, [esp + nb102_fiyH2]	addsd xmm2, [esp + nb102_fizH2]	movlpd [esp + nb102_fjxH2], xmm3	movlpd [esp + nb102_fjyH2], xmm4	movlpd [esp + nb102_fjzH2], xmm5	movlpd [esp + nb102_fixH2], xmm0	movlpd [esp + nb102_fiyH2], xmm1	movlpd [esp + nb102_fizH2], xmm2	mov edi, [ebp + nb102_faction]			;# Did all interactions - now update j forces 	movlpd xmm0, [edi + eax*8]	movlpd xmm1, [edi + eax*8 + 8]	movlpd xmm2, [edi + eax*8 + 16]	movlpd xmm3, [edi + eax*8 + 24]	movlpd xmm4, [edi + eax*8 + 32]	movlpd xmm5, [edi + eax*8 + 40]	movlpd xmm6, [edi + eax*8 + 48]	movlpd xmm7, [edi + eax*8 + 56]	addsd xmm0, [esp + nb102_fjxO]	addsd xmm1, [esp + nb102_fjyO]	addsd xmm2, [esp + nb102_fjzO]	addsd xmm3, [esp + nb102_fjxH1]	addsd xmm4, [esp + nb102_fjyH1]	addsd xmm5, [esp + nb102_fjzH1]	addsd xmm6, [esp + nb102_fjxH2]	addsd xmm7, [esp + nb102_fjyH2]	movlpd [edi + eax*8], xmm0	movlpd [edi + eax*8 + 8], xmm1	movlpd [edi + eax*8 + 16], xmm2	movlpd [edi + eax*8 + 24], xmm3	movlpd [edi + eax*8 + 32], xmm4	movlpd [edi + eax*8 + 40], xmm5	movlpd [edi + eax*8 + 48], xmm6	movlpd [edi + eax*8 + 56], xmm7	movlpd xmm0, [edi + eax*8 + 64]	addsd xmm0, [esp + nb102_fjzH2]	movlpd [edi + eax*8 + 64], xmm0	.nb102_updateouterdata:	mov   ecx, [esp + nb102_ii3]	mov   edi, [ebp + nb102_faction]	mov   esi, [ebp + nb102_fshift]	mov   edx, [esp + nb102_is3]	;# accumulate Oi forces in xmm0, xmm1, xmm2 	movapd xmm0, [esp + nb102_fixO]	movapd xmm1, [esp + nb102_fiyO] 	movapd xmm2, [esp + nb102_fizO]	movhlps xmm3, xmm0	movhlps xmm4, xmm1	movhlps xmm5, xmm2	addsd  xmm0, xmm3	addsd  xmm1, xmm4	addsd  xmm2, xmm5 ;# sum is in low xmm0-xmm2 	;# increment i force 	movsd  xmm3, [edi + ecx*8]	movsd  xmm4, [edi + ecx*8 + 8]	movsd  xmm5, [edi + ecx*8 + 16]	addsd  xmm3, xmm0	addsd  xmm4, xmm1	addsd  xmm5, xmm2	movsd  [edi + ecx*8],     xmm3	movsd  [edi + ecx*8 + 8], xmm4	movsd  [edi + ecx*8 + 16], xmm5	;# accumulate force in xmm6/xmm7 for fshift 	movapd xmm6, xmm0	movsd xmm7, xmm2	unpcklpd xmm6, xmm1	;# accumulate H1i forces in xmm0, xmm1, xmm2
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nb_kernel102_ia32_sse2.intel_syntax.s - 源码说明

本页面展示了「最著名最快的分子模拟软件」中的 nb_kernel102_ia32_sse2.intel_syntax.s 源码文件，采用 S 编程语言编写，共 2,155 行代码。您可以在线阅读完整代码内容，也可以返回资源详情页下载完整源码包进行本地学习和开发。

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