nb_kernel104_ia32_sse.intel_syntax.s

来自「最著名最快的分子模拟软件」· S 代码 · 共 2,174 行 · 第 1/5 页

	movss  xmm0, [esi + eax*4 + 20]
	movss  xmm1, [esi + eax*4 + 32]
	movss  xmm2, [esi + eax*4 + 44]

	movss  xmm3, [esi + ecx*4 + 20]
	movss  xmm4, [esi + ecx*4 + 32]
	movss  xmm5, [esi + ecx*4 + 44]

	movhps xmm0, [esi + ebx*4 + 16]
	movhps xmm1, [esi + ebx*4 + 28]
	movhps xmm2, [esi + ebx*4 + 40]
	
	movhps xmm3, [esi + edx*4 + 16]
	movhps xmm4, [esi + edx*4 + 28]
	movhps xmm5, [esi + edx*4 + 40]
	
	shufps xmm0, xmm3, 204  ;# constant 11001100
	shufps xmm1, xmm4, 204  ;# constant 11001100
	shufps xmm2, xmm5, 204  ;# constant 11001100
	movaps [esp + nb104_jzH1],  xmm0
	movaps [esp + nb104_jzH2],  xmm1
	movaps [esp + nb104_jzM],  xmm2

	movaps xmm0, [esp + nb104_ixH1]
	movaps xmm1, [esp + nb104_iyH1]
	movaps xmm2, [esp + nb104_izH1]
	movaps xmm3, [esp + nb104_ixH1]
	movaps xmm4, [esp + nb104_iyH1]
	movaps xmm5, [esp + nb104_izH1]
	subps  xmm0, [esp + nb104_jxH1]
	subps  xmm1, [esp + nb104_jyH1]
	subps  xmm2, [esp + nb104_jzH1]
	subps  xmm3, [esp + nb104_jxH2]
	subps  xmm4, [esp + nb104_jyH2]
	subps  xmm5, [esp + nb104_jzH2]
	movaps [esp + nb104_dxH1H1], xmm0
	movaps [esp + nb104_dyH1H1], xmm1
	movaps [esp + nb104_dzH1H1], xmm2
	mulps  xmm0, xmm0
	mulps  xmm1, xmm1
	mulps  xmm2, xmm2
	movaps [esp + nb104_dxH1H2], xmm3
	movaps [esp + nb104_dyH1H2], xmm4
	movaps [esp + nb104_dzH1H2], xmm5
	mulps  xmm3, xmm3
	mulps  xmm4, xmm4
	mulps  xmm5, xmm5
	addps  xmm0, xmm1
	addps  xmm0, xmm2
	addps  xmm3, xmm4
	addps  xmm3, xmm5
	movaps [esp + nb104_rsqH1H1], xmm0
	movaps [esp + nb104_rsqH1H2], xmm3

	movaps xmm0, [esp + nb104_ixH1]
	movaps xmm1, [esp + nb104_iyH1]
	movaps xmm2, [esp + nb104_izH1]
	movaps xmm3, [esp + nb104_ixH2]
	movaps xmm4, [esp + nb104_iyH2]
	movaps xmm5, [esp + nb104_izH2]
	subps  xmm0, [esp + nb104_jxM]
	subps  xmm1, [esp + nb104_jyM]
	subps  xmm2, [esp + nb104_jzM]
	subps  xmm3, [esp + nb104_jxH1]
	subps  xmm4, [esp + nb104_jyH1]
	subps  xmm5, [esp + nb104_jzH1]
	movaps [esp + nb104_dxH1M], xmm0
	movaps [esp + nb104_dyH1M], xmm1
	movaps [esp + nb104_dzH1M], xmm2
	mulps  xmm0, xmm0
	mulps  xmm1, xmm1
	mulps  xmm2, xmm2
	movaps [esp + nb104_dxH2H1], xmm3
	movaps [esp + nb104_dyH2H1], xmm4
	movaps [esp + nb104_dzH2H1], xmm5
	mulps  xmm3, xmm3
	mulps  xmm4, xmm4
	mulps  xmm5, xmm5
	addps  xmm0, xmm1
	addps  xmm0, xmm2
	addps  xmm3, xmm4
	addps  xmm3, xmm5
	movaps [esp + nb104_rsqH1M], xmm0
	movaps [esp + nb104_rsqH2H1], xmm3

	movaps xmm0, [esp + nb104_ixH2]
	movaps xmm1, [esp + nb104_iyH2]
	movaps xmm2, [esp + nb104_izH2]
	movaps xmm3, [esp + nb104_ixH2]
	movaps xmm4, [esp + nb104_iyH2]
	movaps xmm5, [esp + nb104_izH2]
	subps  xmm0, [esp + nb104_jxH2]
	subps  xmm1, [esp + nb104_jyH2]
	subps  xmm2, [esp + nb104_jzH2]
	subps  xmm3, [esp + nb104_jxM]
	subps  xmm4, [esp + nb104_jyM]
	subps  xmm5, [esp + nb104_jzM]
	movaps [esp + nb104_dxH2H2], xmm0
	movaps [esp + nb104_dyH2H2], xmm1
	movaps [esp + nb104_dzH2H2], xmm2
	mulps  xmm0, xmm0
	mulps  xmm1, xmm1
	mulps  xmm2, xmm2
	movaps [esp + nb104_dxH2M], xmm3
	movaps [esp + nb104_dyH2M], xmm4
	movaps [esp + nb104_dzH2M], xmm5
	mulps  xmm3, xmm3
	mulps  xmm4, xmm4
	mulps  xmm5, xmm5
	addps  xmm0, xmm1
	addps  xmm0, xmm2
	addps  xmm3, xmm4
	addps  xmm3, xmm5
	movaps [esp + nb104_rsqH2H2], xmm0
	movaps [esp + nb104_rsqH2M], xmm3

	movaps xmm0, [esp + nb104_ixM]
	movaps xmm1, [esp + nb104_iyM]
	movaps xmm2, [esp + nb104_izM]
	movaps xmm3, [esp + nb104_ixM]
	movaps xmm4, [esp + nb104_iyM]
	movaps xmm5, [esp + nb104_izM]
	subps  xmm0, [esp + nb104_jxH1]
	subps  xmm1, [esp + nb104_jyH1]
	subps  xmm2, [esp + nb104_jzH1]
	subps  xmm3, [esp + nb104_jxH2]
	subps  xmm4, [esp + nb104_jyH2]
	subps  xmm5, [esp + nb104_jzH2]
	movaps [esp + nb104_dxMH1], xmm0
	movaps [esp + nb104_dyMH1], xmm1
	movaps [esp + nb104_dzMH1], xmm2
	mulps  xmm0, xmm0
	mulps  xmm1, xmm1
	mulps  xmm2, xmm2
	movaps [esp + nb104_dxMH2], xmm3
	movaps [esp + nb104_dyMH2], xmm4
	movaps [esp + nb104_dzMH2], xmm5
	mulps  xmm3, xmm3
	mulps  xmm4, xmm4
	mulps  xmm5, xmm5
	addps  xmm0, xmm1
	addps  xmm0, xmm2
	addps  xmm4, xmm3
	addps  xmm4, xmm5
	movaps [esp + nb104_rsqMH1], xmm0
	movaps [esp + nb104_rsqMH2], xmm4

	movaps xmm0, [esp + nb104_ixM]
	movaps xmm1, [esp + nb104_iyM]
	movaps xmm2, [esp + nb104_izM]
	subps  xmm0, [esp + nb104_jxM]
	subps  xmm1, [esp + nb104_jyM]
	subps  xmm2, [esp + nb104_jzM]
	movaps [esp + nb104_dxMM], xmm0
	movaps [esp + nb104_dyMM], xmm1
	movaps [esp + nb104_dzMM], xmm2
	mulps xmm0, xmm0
	mulps xmm1, xmm1
	mulps xmm2, xmm2
	addps xmm0, xmm1
	addps xmm0, xmm2
	movaps [esp + nb104_rsqMM], xmm0
		
	;# start doing invsqrt use rsq values in xmm0, xmm4 
	rsqrtps xmm1, xmm0
	rsqrtps xmm5, xmm4
	movaps  xmm2, xmm1
	movaps  xmm6, xmm5
	mulps   xmm1, xmm1
	mulps   xmm5, xmm5
	movaps  xmm3, [esp + nb104_three]
	movaps  xmm7, xmm3
	mulps   xmm1, xmm0
	mulps   xmm5, xmm4
	subps   xmm3, xmm1
	subps   xmm7, xmm5
	mulps   xmm3, xmm2
	mulps   xmm7, xmm6
	mulps   xmm3, [esp + nb104_half] ;# rinvMM 
	mulps   xmm7, [esp + nb104_half] ;# rinvMH2 
	movaps  [esp + nb104_rinvMM], xmm3
	movaps  [esp + nb104_rinvMH2], xmm7
	
	rsqrtps xmm1, [esp + nb104_rsqH1H1]
	rsqrtps xmm5, [esp + nb104_rsqH1H2]
	movaps  xmm2, xmm1
	movaps  xmm6, xmm5
	mulps   xmm1, xmm1
	mulps   xmm5, xmm5
	movaps  xmm3, [esp + nb104_three]
	movaps  xmm7, xmm3
	mulps   xmm1, [esp + nb104_rsqH1H1]
	mulps   xmm5, [esp + nb104_rsqH1H2]
	subps   xmm3, xmm1
	subps   xmm7, xmm5
	mulps   xmm3, xmm2
	mulps   xmm7, xmm6
	mulps   xmm3, [esp + nb104_half] 
	mulps   xmm7, [esp + nb104_half]
	movaps  [esp + nb104_rinvH1H1], xmm3
	movaps  [esp + nb104_rinvH1H2], xmm7
	
	rsqrtps xmm1, [esp + nb104_rsqH1M]
	rsqrtps xmm5, [esp + nb104_rsqH2H1]
	movaps  xmm2, xmm1
	movaps  xmm6, xmm5
	mulps   xmm1, xmm1
	mulps   xmm5, xmm5
	movaps  xmm3, [esp + nb104_three]
	movaps  xmm7, xmm3
	mulps   xmm1, [esp + nb104_rsqH1M]
	mulps   xmm5, [esp + nb104_rsqH2H1]
	subps   xmm3, xmm1
	subps   xmm7, xmm5
	mulps   xmm3, xmm2
	mulps   xmm7, xmm6
	mulps   xmm3, [esp + nb104_half] 
	mulps   xmm7, [esp + nb104_half]
	movaps  [esp + nb104_rinvH1M], xmm3
	movaps  [esp + nb104_rinvH2H1], xmm7
	
	rsqrtps xmm1, [esp + nb104_rsqH2H2]
	rsqrtps xmm5, [esp + nb104_rsqH2M]
	movaps  xmm2, xmm1
	movaps  xmm6, xmm5
	mulps   xmm1, xmm1
	mulps   xmm5, xmm5
	movaps  xmm3, [esp + nb104_three]
	movaps  xmm7, xmm3
	mulps   xmm1, [esp + nb104_rsqH2H2]
	mulps   xmm5, [esp + nb104_rsqH2M]
	subps   xmm3, xmm1
	subps   xmm7, xmm5
	mulps   xmm3, xmm2
	mulps   xmm7, xmm6
	mulps   xmm3, [esp + nb104_half] 
	mulps   xmm7, [esp + nb104_half]
	movaps  [esp + nb104_rinvH2H2], xmm3
	movaps  [esp + nb104_rinvH2M], xmm7
	
	rsqrtps xmm1, [esp + nb104_rsqMH1]
	movaps  xmm2, xmm1
	mulps   xmm1, xmm1
	movaps  xmm3, [esp + nb104_three]
	mulps   xmm1, [esp + nb104_rsqMH1]
	subps   xmm3, xmm1
	mulps   xmm3, xmm2
	mulps   xmm3, [esp + nb104_half] 
	movaps  [esp + nb104_rinvMH1], xmm3

	;# start with H1-H1 interaction 
	movaps xmm0, [esp + nb104_rinvH1H1]
	movaps xmm7, xmm0
	mulps  xmm0, xmm0
	mulps  xmm7, [esp + nb104_qqHH]
	mulps  xmm0, xmm7	
	addps  xmm7, [esp + nb104_vctot] 
	movaps xmm1, xmm0
	movaps xmm2, xmm0

	xorps xmm3, xmm3
	movaps xmm4, xmm3
	movaps xmm5, xmm3
	mulps xmm0, [esp + nb104_dxH1H1]
	mulps xmm1, [esp + nb104_dyH1H1]
	mulps xmm2, [esp + nb104_dzH1H1]
	subps xmm3, xmm0
	subps xmm4, xmm1
	subps xmm5, xmm2
	addps xmm0, [esp + nb104_fixH1]
	addps xmm1, [esp + nb104_fiyH1]
	addps xmm2, [esp + nb104_fizH1]
	movaps [esp + nb104_fjxH1], xmm3
	movaps [esp + nb104_fjyH1], xmm4
	movaps [esp + nb104_fjzH1], xmm5
	movaps [esp + nb104_fixH1], xmm0
	movaps [esp + nb104_fiyH1], xmm1
	movaps [esp + nb104_fizH1], xmm2

	;# H1-H2 interaction 
	movaps xmm0, [esp + nb104_rinvH1H2]
	movaps xmm1, xmm0
	mulps xmm0, xmm0
	mulps xmm1, [esp + nb104_qqHH]
	mulps xmm0, xmm1	;# fs H1-H2  
	addps xmm7, xmm1	;# add to local vctot 
	movaps xmm1, xmm0
	movaps xmm2, xmm0
	
	xorps xmm3, xmm3
	movaps xmm4, xmm3
	movaps xmm5, xmm3
	mulps xmm0, [esp + nb104_dxH1H2]
	mulps xmm1, [esp + nb104_dyH1H2]
	mulps xmm2, [esp + nb104_dzH1H2]
	subps xmm3, xmm0
	subps xmm4, xmm1
	subps xmm5, xmm2
	addps xmm0, [esp + nb104_fixH1]
	addps xmm1, [esp + nb104_fiyH1]
	addps xmm2, [esp + nb104_fizH1]
	movaps [esp + nb104_fjxH2], xmm3
	movaps [esp + nb104_fjyH2], xmm4
	movaps [esp + nb104_fjzH2], xmm5
	movaps [esp + nb104_fixH1], xmm0
	movaps [esp + nb104_fiyH1], xmm1
	movaps [esp + nb104_fizH1], xmm2

	;# H1-M interaction  
	movaps xmm0, [esp + nb104_rinvH1M]
	movaps xmm1, xmm0
	mulps xmm0, xmm0
	mulps xmm1, [esp + nb104_qqMH]
	mulps xmm0, xmm1	;# fs H1-M  
	addps xmm7, xmm1	;# add to local vctot 
	movaps xmm1, xmm0
	movaps xmm2, xmm0
	
	xorps xmm3, xmm3
	movaps xmm4, xmm3
	movaps xmm5, xmm3
	mulps xmm0, [esp + nb104_dxH1M]
	mulps xmm1, [esp + nb104_dyH1M]
	mulps xmm2, [esp + nb104_dzH1M]
	subps xmm3, xmm0
	subps xmm4, xmm1
	subps xmm5, xmm2
	addps xmm0, [esp + nb104_fixH1]
	addps xmm1, [esp + nb104_fiyH1]
	addps xmm2, [esp + nb104_fizH1]
	movaps [esp + nb104_fjxM], xmm3
	movaps [esp + nb104_fjyM], xmm4
	movaps [esp + nb104_fjzM], xmm5
	movaps [esp + nb104_fixH1], xmm0
	movaps [esp + nb104_fiyH1], xmm1
	movaps [esp + nb104_fizH1], xmm2

	;# H2-H1 interaction 
	movaps xmm0, [esp + nb104_rinvH2H1]
	movaps xmm1, xmm0
	mulps xmm0, xmm0
	mulps xmm1, [esp + nb104_qqHH]
	mulps xmm0, xmm1	;# fs H2-H1 
	addps xmm7, xmm1	;# add to local vctot 
	movaps xmm1, xmm0
	movaps xmm2, xmm0
	movaps xmm3, [esp + nb104_fjxH1]
	movaps xmm4, [esp + nb104_fjyH1]
	movaps xmm5, [esp + nb104_fjzH1]
	mulps xmm0, [esp + nb104_dxH2H1]
	mulps xmm1, [esp + nb104_dyH2H1]
	mulps xmm2, [esp + nb104_dzH2H1]
	subps xmm3, xmm0
	subps xmm4, xmm1
	subps xmm5, xmm2
	addps xmm0, [esp + nb104_fixH2]
	addps xmm1, [esp + nb104_fiyH2]
	addps xmm2, [esp + nb104_fizH2]
	movaps [esp + nb104_fjxH1], xmm3
	movaps [esp + nb104_fjyH1], xmm4
	movaps [esp + nb104_fjzH1], xmm5
	movaps [esp + nb104_fixH2], xmm0
	movaps [esp + nb104_fiyH2], xmm1
	movaps [esp + nb104_fizH2], xmm2

	;# H2-H2 interaction 
	movaps xmm0, [esp + nb104_rinvH2H2]
	movaps xmm1, xmm0
	mulps xmm0, xmm0
	mulps xmm1, [esp + nb104_qqHH]
	mulps xmm0, xmm1	;# fsH2H2
	addps xmm7, xmm1	;# add to local vctot 
	movaps xmm1, xmm0
	movaps xmm2, xmm0
	movaps xmm3, [esp + nb104_fjxH2]
	movaps xmm4, [esp + nb104_fjyH2]
	movaps xmm5, [esp + nb104_fjzH2]
	mulps xmm0, [esp + nb104_dxH2H2]
	mulps xmm1, [esp + nb104_dyH2H2]
	mulps xmm2, [esp + nb104_dzH2H2]
	subps xmm3, xmm0
	subps xmm4, xmm1
	subps xmm5, xmm2
	addps xmm0, [esp + nb104_fixH2]
	addps xmm1, [esp + nb104_fiyH2]
	addps xmm2, [esp + nb104_fizH2]
	movaps [esp + nb104_fjxH2], xmm3
	movaps [esp + nb104_fjyH2], xmm4
	movaps [esp + nb104_fjzH2], xmm5
	movaps [esp + nb104_fixH2], xmm0
	movaps [esp + nb104_fiyH2], xmm1
	movaps [esp + nb104_fizH2], xmm2

	;# H2-M interaction 
	movaps xmm0, [esp + nb104_rinvH2M]
	movaps xmm1, xmm0
	mulps xmm0, xmm0
	mulps xmm1, [esp + nb104_qqMH]
	mulps xmm0, xmm1	;# fs H2-M  
	addps xmm7, xmm1	;# add to local vctot 
	movaps xmm1, xmm0
	movaps xmm2, xmm0
	movaps xmm3, [esp + nb104_fjxM]
	movaps xmm4, [esp + nb104_fjyM]
	movaps xmm5, [esp + nb104_fjzM]
	mulps xmm0, [esp + nb104_dxH2M]
	mulps xmm1, [esp + nb104_dyH2M]
	mulps xmm2, [esp + nb104_dzH2M]
	subps xmm3, xmm0
	subps xmm4, xmm1
	subps xmm5, xmm2
	addps xmm0, [esp + nb104_fixH2]
	addps xmm1, [esp + nb104_fiyH2]
	addps xmm2, [esp + nb104_fizH2]
	movaps [esp + nb104_fjxM], xmm3
	movaps [esp + nb104_fjyM], xmm4
	movaps [esp + nb104_fjzM], xmm5
	movaps [esp + nb104_fixH2], xmm0
	movaps [esp + nb104_fiyH2], xmm1
	movaps [esp + nb104_fizH2], xmm2

	;# M-H1 interaction 
	movaps xmm0, [esp + nb104_rinvMH1]
	movaps xmm1, xmm0
	mulps xmm0, xmm0
	mulps xmm1, [esp + nb104_qqMH]
	mulps xmm0, xmm1	;# fs M-H1 
	addps xmm7, xmm1	;# add to local vctot 
	movaps xmm1, xmm0
	movaps xmm2, xmm0
	movaps xmm3, [esp + nb104_fjxH1]
	movaps xmm4, [esp + nb104_fjyH1]
	movaps xmm5, [esp + nb104_fjzH1]
	mulps xmm0, [esp + nb104_dxMH1]
	mulps xmm1, [esp + nb104_dyMH1]