nb_kernel233_ia32_sse.intel_syntax.s

来自「最著名最快的分子模拟软件」· S 代码 · 共 2,301 行 · 第 1/5 页

	;# add earlier value from mem 
	mov   eax, [ebp + nb233_Vvdw]
	addss xmm7, [eax + edx*4] 
	;# move back to mem 
	movss [eax + edx*4], xmm7 
	
        ;# finish if last 
        mov ecx, [esp + nb233_nn1]
	;# esi already loaded with n
	inc esi
        sub ecx, esi
        jecxz .nb233_outerend

        ;# not last, iterate outer loop once more!  
        mov [esp + nb233_n], esi
        jmp .nb233_outer
.nb233_outerend:
        ;# check if more outer neighborlists remain
        mov   ecx, [esp + nb233_nri]
	;# esi already loaded with n above
        sub   ecx, esi
        jecxz .nb233_end
        ;# non-zero, do one more workunit
        jmp   .nb233_threadloop
.nb233_end:
	emms

	mov eax, [esp + nb233_nouter]
	mov ebx, [esp + nb233_ninner]
	mov ecx, [ebp + nb233_outeriter]
	mov edx, [ebp + nb233_inneriter]
	mov [ecx], eax
	mov [edx], ebx

	mov eax, [esp + nb233_salign]
	add esp, eax
	add esp, 1004
	pop edi
	pop esi
	pop edx
	pop ecx
	pop ebx
	pop eax
	leave
	ret
	

.globl nb_kernel233nf_ia32_sse
.globl _nb_kernel233nf_ia32_sse
nb_kernel233nf_ia32_sse:	
_nb_kernel233nf_ia32_sse:	
.equiv          nb233nf_p_nri,            8
.equiv          nb233nf_iinr,             12
.equiv          nb233nf_jindex,           16
.equiv          nb233nf_jjnr,             20
.equiv          nb233nf_shift,            24
.equiv          nb233nf_shiftvec,         28
.equiv          nb233nf_fshift,           32
.equiv          nb233nf_gid,              36
.equiv          nb233nf_pos,              40
.equiv          nb233nf_faction,          44
.equiv          nb233nf_charge,           48
.equiv          nb233nf_p_facel,          52
.equiv          nb233nf_argkrf,           56
.equiv          nb233nf_argcrf,           60
.equiv          nb233nf_Vc,               64
.equiv          nb233nf_type,             68
.equiv          nb233nf_p_ntype,          72
.equiv          nb233nf_vdwparam,         76
.equiv          nb233nf_Vvdw,             80
.equiv          nb233nf_p_tabscale,       84
.equiv          nb233nf_VFtab,            88
.equiv          nb233nf_invsqrta,         92
.equiv          nb233nf_dvda,             96
.equiv          nb233nf_p_gbtabscale,     100
.equiv          nb233nf_GBtab,            104
.equiv          nb233nf_p_nthreads,       108
.equiv          nb233nf_count,            112
.equiv          nb233nf_mtx,              116
.equiv          nb233nf_outeriter,        120
.equiv          nb233nf_inneriter,        124
.equiv          nb233nf_work,             128
	;# stack offsets for local variables  
	;# bottom of stack is cache-aligned for sse use 
.equiv          nb233nf_ixO,              0
.equiv          nb233nf_iyO,              16
.equiv          nb233nf_izO,              32
.equiv          nb233nf_ixH1,             48
.equiv          nb233nf_iyH1,             64
.equiv          nb233nf_izH1,             80
.equiv          nb233nf_ixH2,             96
.equiv          nb233nf_iyH2,             112
.equiv          nb233nf_izH2,             128
.equiv          nb233nf_ixM,              144
.equiv          nb233nf_iyM,              160
.equiv          nb233nf_izM,              176
.equiv          nb233nf_iqM,              192
.equiv          nb233nf_iqH,              208
.equiv          nb233nf_qqH,              224
.equiv          nb233nf_rinvH1,           240
.equiv          nb233nf_rinvH2,           256
.equiv          nb233nf_rinvM,            272
.equiv          nb233nf_c6,               288
.equiv          nb233nf_c12,              304
.equiv          nb233nf_tsc,              320
.equiv          nb233nf_krf,              336
.equiv          nb233nf_crf,              352
.equiv          nb233nf_krsqH1,           368
.equiv          nb233nf_krsqH2,           384
.equiv          nb233nf_krsqM,            400
.equiv          nb233nf_vctot,            416
.equiv          nb233nf_Vvdwtot,          432
.equiv          nb233nf_half,             448
.equiv          nb233nf_three,            464
.equiv          nb233nf_qqM,              480
.equiv          nb233nf_is3,              496
.equiv          nb233nf_ii3,              500
.equiv          nb233nf_ntia,             504
.equiv          nb233nf_innerjjnr,        508
.equiv          nb233nf_innerk,           512
.equiv          nb233nf_n,                516
.equiv          nb233nf_nn1,              520
.equiv          nb233nf_nri,              524
.equiv          nb233nf_nouter,           528
.equiv          nb233nf_ninner,           532
.equiv          nb233nf_salign,           536
	push ebp
	mov ebp,esp	
	push eax
	push ebx
	push ecx
	push edx
	push esi
	push edi
	sub esp, 540		;# local stack space 
	mov  eax, esp
	and  eax, 0xf
	sub esp, eax
	mov [esp + nb233nf_salign], eax

	emms

	;# Move args passed by reference to stack
	mov ecx, [ebp + nb233nf_p_nri]
	mov ecx, [ecx]
	mov [esp + nb233nf_nri], ecx

	;# zero iteration counters
	mov eax, 0
	mov [esp + nb233nf_nouter], eax
	mov [esp + nb233nf_ninner], eax

	mov eax, [ebp + nb233nf_p_tabscale]
	movss xmm3, [eax]
	shufps xmm3, xmm3, 0
	movaps [esp + nb233nf_tsc], xmm3

	mov esi, [ebp + nb233nf_argkrf]
	mov edi, [ebp + nb233nf_argcrf]
	movss xmm5, [esi]
	movss xmm6, [edi]
	shufps xmm5, xmm5, 0
	shufps xmm6, xmm6, 0
	movaps [esp + nb233nf_krf], xmm5
	movaps [esp + nb233nf_crf], xmm6
	;# create constant floating-point factors on stack
	mov eax, 0x3f000000     ;# constant 0.5 in IEEE (hex)
	mov [esp + nb233nf_half], eax
	movss xmm1, [esp + nb233nf_half]
	shufps xmm1, xmm1, 0    ;# splat to all elements
	movaps xmm2, xmm1       
	addps  xmm2, xmm2	;# constant 1.0
	movaps xmm3, xmm2
	addps  xmm2, xmm2	;# constant 2.0
	addps  xmm3, xmm2	;# constant 3.0
	movaps [esp + nb233nf_half],  xmm1
	movaps [esp + nb233nf_three],  xmm3
	
	;# assume we have at least one i particle - start directly 
	mov   ecx, [ebp + nb233nf_iinr]       ;# ecx = pointer into iinr[] 	
	mov   ebx, [ecx]	    ;# ebx =ii 

	mov   edx, [ebp + nb233nf_charge]
	movss xmm4, [edx + ebx*4 + 4]	
	movss xmm3, [edx + ebx*4 + 12]	
	mov esi, [ebp + nb233nf_p_facel]
	movss xmm5, [esi]
	mulss  xmm3, xmm5
	mulss  xmm4, xmm5

	shufps xmm3, xmm3, 0
	shufps xmm4, xmm4, 0
	movaps [esp + nb233nf_iqM], xmm3
	movaps [esp + nb233nf_iqH], xmm4
	
	mov   edx, [ebp + nb233nf_type]
	mov   ecx, [edx + ebx*4]
	shl   ecx, 1
	mov edi, [ebp + nb233nf_p_ntype]
	imul  ecx, [edi]      ;# ecx = ntia = 2*ntype*type[ii0] 
	mov   [esp + nb233nf_ntia], ecx		
.nb233nf_threadloop:
        mov   esi, [ebp + nb233nf_count]          ;# pointer to sync counter
        mov   eax, [esi]
.nb233nf_spinlock:
        mov   ebx, eax                          ;# ebx=*count=nn0
        add   ebx, 1                           ;# ebx=nn1=nn0+10
        lock
        cmpxchg [esi], ebx                      ;# write nn1 to *counter,
                                                ;# if it hasnt changed.
                                                ;# or reread *counter to eax.
        pause                                   ;# -> better p4 performance
        jnz .nb233nf_spinlock

        ;# if(nn1>nri) nn1=nri
        mov ecx, [esp + nb233nf_nri]
        mov edx, ecx
        sub ecx, ebx
        cmovle ebx, edx                         ;# if(nn1>nri) nn1=nri
        ;# Cleared the spinlock if we got here.
        ;# eax contains nn0, ebx contains nn1.
        mov [esp + nb233nf_n], eax
        mov [esp + nb233nf_nn1], ebx
        sub ebx, eax                            ;# calc number of outer lists
	mov esi, eax				;# copy n to esi
        jg  .nb233nf_outerstart
        jmp .nb233nf_end
	
.nb233nf_outerstart:
	;# ebx contains number of outer iterations
	add ebx, [esp + nb233nf_nouter]
	mov [esp + nb233nf_nouter], ebx

.nb233nf_outer:
	mov   eax, [ebp + nb233nf_shift]      ;# eax = pointer into shift[] 
	mov   ebx, [eax + esi*4]		;# ebx=shift[n] 
	
	lea   ebx, [ebx + ebx*2]	;# ebx=3*is 
	mov   [esp + nb233nf_is3],ebx    	;# store is3 

	mov   eax, [ebp + nb233nf_shiftvec]   ;# eax = base of shiftvec[] 

	movss xmm0, [eax + ebx*4]
	movss xmm1, [eax + ebx*4 + 4]
	movss xmm2, [eax + ebx*4 + 8] 

	mov   ecx, [ebp + nb233nf_iinr]   	;# ecx = pointer into iinr[] 	
	mov   ebx, [ecx + esi*4]		;# ebx =ii 

	movaps xmm3, xmm0
	movaps xmm4, xmm1
	movaps xmm5, xmm2	
	movaps xmm6, xmm0
	movaps xmm7, xmm1
	
	lea   ebx, [ebx + ebx*2]	;# ebx = 3*ii=ii3 
	mov   eax, [ebp + nb233nf_pos]	;# eax = base of pos[]  
	mov   [esp + nb233nf_ii3], ebx

	addss xmm3, [eax + ebx*4]  	;# ox
	addss xmm4, [eax + ebx*4 + 4]  ;# oy
	addss xmm5, [eax + ebx*4 + 8]  ;# oz
	addss xmm6, [eax + ebx*4 + 12] ;# h1x
	addss xmm7, [eax + ebx*4 + 16] ;# h1y
	shufps xmm3, xmm3, 0
	shufps xmm4, xmm4, 0
	shufps xmm5, xmm5, 0
	shufps xmm6, xmm6, 0
	shufps xmm7, xmm7, 0
	movaps [esp + nb233nf_ixO], xmm3
	movaps [esp + nb233nf_iyO], xmm4
	movaps [esp + nb233nf_izO], xmm5
	movaps [esp + nb233nf_ixH1], xmm6
	movaps [esp + nb233nf_iyH1], xmm7

	movss xmm6, xmm2
	movss xmm3, xmm0
	movss xmm4, xmm1
	movss xmm5, xmm2
	addss xmm6, [eax + ebx*4 + 20] ;# h1z
	addss xmm0, [eax + ebx*4 + 24] ;# h2x
	addss xmm1, [eax + ebx*4 + 28] ;# h2y
	addss xmm2, [eax + ebx*4 + 32] ;# h2z
	addss xmm3, [eax + ebx*4 + 36] ;# mx
	addss xmm4, [eax + ebx*4 + 40] ;# my
	addss xmm5, [eax + ebx*4 + 44] ;# mz

	shufps xmm6, xmm6, 0
	shufps xmm0, xmm0, 0
	shufps xmm1, xmm1, 0
	shufps xmm2, xmm2, 0
	shufps xmm3, xmm3, 0
	shufps xmm4, xmm4, 0
	shufps xmm5, xmm5, 0
	movaps [esp + nb233nf_izH1], xmm6
	movaps [esp + nb233nf_ixH2], xmm0
	movaps [esp + nb233nf_iyH2], xmm1
	movaps [esp + nb233nf_izH2], xmm2
	movaps [esp + nb233nf_ixM], xmm3
	movaps [esp + nb233nf_iyM], xmm4
	movaps [esp + nb233nf_izM], xmm5
	
	;# clear vctot 
	xorps xmm4, xmm4
	movaps [esp + nb233nf_vctot], xmm4
	movaps [esp + nb233nf_Vvdwtot], xmm4

	mov   eax, [ebp + nb233nf_jindex]
	mov   ecx, [eax + esi*4]	 	;# jindex[n] 
	mov   edx, [eax + esi*4 + 4]	 	;# jindex[n+1] 
	sub   edx, ecx           	;# number of innerloop atoms 

	mov   esi, [ebp + nb233nf_pos]
	mov   eax, [ebp + nb233nf_jjnr]
	shl   ecx, 2
	add   eax, ecx
	mov   [esp + nb233nf_innerjjnr], eax 	;# pointer to jjnr[nj0] 
	mov   ecx, edx
	sub   edx,  4
	add   ecx, [esp + nb233nf_ninner]
	mov   [esp + nb233nf_ninner], ecx
	add   edx, 0
	mov   [esp + nb233nf_innerk], edx	;# number of innerloop atoms 
	jge   .nb233nf_unroll_loop
	jmp   .nb233nf_odd_inner
.nb233nf_unroll_loop:
	;# quad-unroll innerloop here 
	mov   edx, [esp + nb233nf_innerjjnr] 	;# pointer to jjnr[k] 
	mov   eax, [edx]	
	mov   ebx, [edx + 4]              
	mov   ecx, [edx + 8]            
	mov   edx, [edx + 12]     	;# eax-edx=jnr1-4 

	add dword ptr [esp + nb233nf_innerjjnr],  16 ;# advance pointer (unrolled 4) 

	mov esi, [ebp + nb233nf_charge]	;# base of charge[] 
	
	movss xmm3, [esi + eax*4]
	movss xmm4, [esi + ecx*4]
	movss xmm6, [esi + ebx*4]
	movss xmm7, [esi + edx*4]

	shufps xmm3, xmm6, 0 
	shufps xmm4, xmm7, 0 
	shufps xmm3, xmm4, 136  ;# constant 10001000 ;# all charges in xmm3  
	movaps xmm4, xmm3	 	;# and in xmm4 
	mulps  xmm3, [esp + nb233nf_iqM]
	mulps  xmm4, [esp + nb233nf_iqH]

	movd  mm0, eax		;# use mmx registers as temp storage 
	movd  mm1, ebx
	movd  mm2, ecx
	movd  mm3, edx

	movaps  [esp + nb233nf_qqM], xmm3
	movaps  [esp + nb233nf_qqH], xmm4
	
	mov esi, [ebp + nb233nf_type]
	mov eax, [esi + eax*4]
	mov ebx, [esi + ebx*4]
	mov ecx, [esi + ecx*4]
	mov edx, [esi + edx*4]
	mov esi, [ebp + nb233nf_vdwparam]
	shl eax, 1	
	shl ebx, 1	
	shl ecx, 1	
	shl edx, 1	
	mov edi, [esp + nb233nf_ntia]
	add eax, edi
	add ebx, edi
	add ecx, edi
	add edx, edi

	movlps xmm6, [esi + eax*4]
	movlps xmm7, [esi + ecx*4]
	movhps xmm6, [esi + ebx*4]
	movhps xmm7, [esi + edx*4]

	movaps xmm4, xmm6
	shufps xmm4, xmm7, 136  ;# constant 10001000
	shufps xmm6, xmm7, 221  ;# constant 11011101
	
	movd  eax, mm0		
	movd  ebx, mm1
	movd  ecx, mm2
	movd  edx, mm3

	movaps [esp + nb233nf_c6], xmm4
	movaps [esp + nb233nf_c12], xmm6

	mov esi, [ebp + nb233nf_pos]   	;# base of pos[] 

	lea   eax, [eax + eax*2] 	;# replace jnr with j3 
	lea   ebx, [ebx + ebx*2]	
	lea   ecx, [ecx + ecx*2] 	;# replace jnr with j3 
	lea   edx, [edx + edx*2]	

	;# move four coordinates to xmm0-xmm2 	
	movlps xmm4, [esi + eax*4]
	movlps xmm5, [esi + ecx*4]
	movss xmm2, [esi + eax*4 + 8]
	movss xmm6, [esi + ecx*4 + 8]

	movhps xmm4, [esi + ebx*4]
	movhps xmm5, [esi + edx*4]

	movss xmm0, [esi + ebx*4 + 8]
	movss xmm1, [esi + edx*4 + 8]

	shufps xmm2, xmm0, 0
	shufps xmm6, xmm1, 0
	
	movaps xmm0, xmm4
	movaps xmm1, xmm4

	shufps xmm2, xmm6, 136  ;# constant 10001000
	
	shufps xmm0, xmm5, 136  ;# constant 10001000
	shufps xmm1, xmm5, 221  ;# constant 11011101		

	;# move ixO-izO to xmm4-xmm6 
	movaps xmm4, [esp + nb233nf_ixO]
	movaps xmm5, [esp + nb233nf_iyO]
	movaps xmm6, [esp + nb233nf_izO]

	;# calc dr 
	subps xmm4, xmm0
	subps xmm5, xmm1
	subps xmm6, xmm2

	;# square it 
	mulps xmm4,xmm4
	mulps xmm5,xmm5
	mulps xmm6,xmm6
	addps xmm4, xmm5
	addps xmm4, xmm6
	movaps xmm7, xmm4
	;# rsqO in xmm7

	;# move ixH1-izH1 to xmm4-xmm6 
	movaps xmm4, [esp + nb233nf_ixH1]
	movaps xmm5, [esp + nb233nf_iyH1]
	movaps xmm6, [esp + nb233nf_izH1]

	;# calc dr 
	subps xmm4, xmm0
	subps xmm5, xmm1
	subps xmm6, xmm2

	;# square it 
	mulps xmm4,xmm4
	mulps xmm5,xmm5
	mulps xmm6,xmm6
	addps xmm6, xmm5
	addps xmm6, xmm4
	;# rsqH1 in xmm6 
		
	;# move ixH2-izH2 to xmm3-xmm5  
	movaps xmm3, [esp + nb233nf_ixH2]
	movaps xmm4, [esp + nb233nf_iyH2]