nb_kernel111_ia32_sse.intel_syntax.s

来自「最著名最快的分子模拟软件」· S 代码 · 共 1,712 行 · 第 1/4 页

	jz    .nb111_updateouterdata
	jmp   .nb111_odd_loop
.nb111_updateouterdata:
	mov   ecx, [esp + nb111_ii3]
	mov   edi, [ebp + nb111_faction]
	mov   esi, [ebp + nb111_fshift]
	mov   edx, [esp + nb111_is3]

	;# accumulate  Oi forces in xmm0, xmm1, xmm2 
	movaps xmm0, [esp + nb111_fixO]
	movaps xmm1, [esp + nb111_fiyO]
	movaps xmm2, [esp + nb111_fizO]

	movhlps xmm3, xmm0
	movhlps xmm4, xmm1
	movhlps xmm5, xmm2
	addps  xmm0, xmm3
	addps  xmm1, xmm4
	addps  xmm2, xmm5 ;# sum is in 1/2 in xmm0-xmm2 

	movaps xmm3, xmm0	
	movaps xmm4, xmm1	
	movaps xmm5, xmm2	

	shufps xmm3, xmm3, 1
	shufps xmm4, xmm4, 1
	shufps xmm5, xmm5, 1
	addss  xmm0, xmm3
	addss  xmm1, xmm4
	addss  xmm2, xmm5	;# xmm0-xmm2 has single force in pos0 

	;# increment i force 
	movss  xmm3, [edi + ecx*4]
	movss  xmm4, [edi + ecx*4 + 4]
	movss  xmm5, [edi + ecx*4 + 8]
	addss  xmm3, xmm0
	addss  xmm4, xmm1
	addss  xmm5, xmm2
	movss  [edi + ecx*4],     xmm3
	movss  [edi + ecx*4 + 4], xmm4
	movss  [edi + ecx*4 + 8], xmm5

	;# accumulate force in xmm6/xmm7 for fshift 
	movaps xmm6, xmm0
	movss xmm7, xmm2
	movlhps xmm6, xmm1
	shufps  xmm6, xmm6, 8 ;# constant 00001000	

	;# accumulate H1i forces in xmm0, xmm1, xmm2 
	movaps xmm0, [esp + nb111_fixH1]
	movaps xmm1, [esp + nb111_fiyH1]
	movaps xmm2, [esp + nb111_fizH1]

	movhlps xmm3, xmm0
	movhlps xmm4, xmm1
	movhlps xmm5, xmm2
	addps  xmm0, xmm3
	addps  xmm1, xmm4
	addps  xmm2, xmm5 ;# sum is in 1/2 in xmm0-xmm2 

	movaps xmm3, xmm0	
	movaps xmm4, xmm1	
	movaps xmm5, xmm2	

	shufps xmm3, xmm3, 1
	shufps xmm4, xmm4, 1
	shufps xmm5, xmm5, 1
	addss  xmm0, xmm3
	addss  xmm1, xmm4
	addss  xmm2, xmm5	;# xmm0-xmm2 has single force in pos0 

	;# increment i force 
	movss  xmm3, [edi + ecx*4 + 12]
	movss  xmm4, [edi + ecx*4 + 16]
	movss  xmm5, [edi + ecx*4 + 20]
	addss  xmm3, xmm0
	addss  xmm4, xmm1
	addss  xmm5, xmm2
	movss  [edi + ecx*4 + 12], xmm3
	movss  [edi + ecx*4 + 16], xmm4
	movss  [edi + ecx*4 + 20], xmm5

	;# accumulate force in xmm6/xmm7 for fshift 
	addss xmm7, xmm2
	movlhps xmm0, xmm1
	shufps  xmm0, xmm0, 8 ;# constant 00001000	
	addps   xmm6, xmm0

	;# accumulate H2i forces in xmm0, xmm1, xmm2 
	movaps xmm0, [esp + nb111_fixH2]
	movaps xmm1, [esp + nb111_fiyH2]
	movaps xmm2, [esp + nb111_fizH2]

	movhlps xmm3, xmm0
	movhlps xmm4, xmm1
	movhlps xmm5, xmm2
	addps  xmm0, xmm3
	addps  xmm1, xmm4
	addps  xmm2, xmm5 ;# sum is in 1/2 in xmm0-xmm2 

	movaps xmm3, xmm0	
	movaps xmm4, xmm1	
	movaps xmm5, xmm2	

	shufps xmm3, xmm3, 1
	shufps xmm4, xmm4, 1
	shufps xmm5, xmm5, 1
	addss  xmm0, xmm3
	addss  xmm1, xmm4
	addss  xmm2, xmm5	;# xmm0-xmm2 has single force in pos0 

	;# increment i force 
	movss  xmm3, [edi + ecx*4 + 24]
	movss  xmm4, [edi + ecx*4 + 28]
	movss  xmm5, [edi + ecx*4 + 32]
	addss  xmm3, xmm0
	addss  xmm4, xmm1
	addss  xmm5, xmm2
	movss  [edi + ecx*4 + 24], xmm3
	movss  [edi + ecx*4 + 28], xmm4
	movss  [edi + ecx*4 + 32], xmm5

	;# accumulate force in xmm6/xmm7 for fshift 
	addss xmm7, xmm2
	movlhps xmm0, xmm1
	shufps  xmm0, xmm0, 8 ;# constant 00001000	
	addps   xmm6, xmm0

	;# increment fshift force  
	movlps  xmm3, [esi + edx*4]
	movss  xmm4, [esi + edx*4 + 8]
	addps  xmm3, xmm6
	addss  xmm4, xmm7
	movlps  [esi + edx*4],    xmm3
	movss  [esi + edx*4 + 8], xmm4

	;# get n from stack
	mov esi, [esp + nb111_n]
        ;# get group index for i particle 
        mov   edx, [ebp + nb111_gid]      	;# base of gid[]
        mov   edx, [edx + esi*4]		;# ggid=gid[n]

	;# accumulate total potential energy and update it 
	movaps xmm7, [esp + nb111_vctot]
	;# accumulate 
	movhlps xmm6, xmm7
	addps  xmm7, xmm6	;# pos 0-1 in xmm7 have the sum now 
	movaps xmm6, xmm7
	shufps xmm6, xmm6, 1
	addss  xmm7, xmm6		
        
	;# add earlier value from mem 
	mov   eax, [ebp + nb111_Vc]
	addss xmm7, [eax + edx*4] 
	;# move back to mem 
	movss [eax + edx*4], xmm7 
	
	;# accumulate total lj energy and update it 
	movaps xmm7, [esp + nb111_Vvdwtot]
	;# accumulate 
	movhlps xmm6, xmm7
	addps  xmm7, xmm6	;# pos 0-1 in xmm7 have the sum now 
	movaps xmm6, xmm7
	shufps xmm6, xmm6, 1
	addss  xmm7, xmm6		

	;# add earlier value from mem 
	mov   eax, [ebp + nb111_Vvdw]
	addss xmm7, [eax + edx*4] 
	;# move back to mem 
	movss [eax + edx*4], xmm7 
	
        ;# finish if last 
        mov ecx, [esp + nb111_nn1]
	;# esi already loaded with n
	inc esi
        sub ecx, esi
        jecxz .nb111_outerend

        ;# not last, iterate outer loop once more!  
        mov [esp + nb111_n], esi
        jmp .nb111_outer
.nb111_outerend:
        ;# check if more outer neighborlists remain
        mov   ecx, [esp + nb111_nri]
	;# esi already loaded with n above
        sub   ecx, esi
        jecxz .nb111_end
        ;# non-zero, do one more workunit
        jmp   .nb111_threadloop
.nb111_end:
	emms

	mov eax, [esp + nb111_nouter]
	mov ebx, [esp + nb111_ninner]
	mov ecx, [ebp + nb111_outeriter]
	mov edx, [ebp + nb111_inneriter]
	mov [ecx], eax
	mov [edx], ebx

	mov eax, [esp + nb111_salign]
	add esp, eax
	add esp, 716
	pop edi
	pop esi
    	pop edx
    	pop ecx
    	pop ebx
    	pop eax
	leave
	ret



.globl nb_kernel111nf_ia32_sse
.globl _nb_kernel111nf_ia32_sse
nb_kernel111nf_ia32_sse:	
_nb_kernel111nf_ia32_sse:	
.equiv          nb111nf_p_nri,          8
.equiv          nb111nf_iinr,           12
.equiv          nb111nf_jindex,         16
.equiv          nb111nf_jjnr,           20
.equiv          nb111nf_shift,          24
.equiv          nb111nf_shiftvec,       28
.equiv          nb111nf_fshift,         32
.equiv          nb111nf_gid,            36
.equiv          nb111nf_pos,            40
.equiv          nb111nf_faction,        44
.equiv          nb111nf_charge,         48
.equiv          nb111nf_p_facel,        52
.equiv          nb111nf_p_krf,          56
.equiv          nb111nf_p_crf,          60
.equiv          nb111nf_Vc,             64
.equiv          nb111nf_type,           68
.equiv          nb111nf_p_ntype,        72
.equiv          nb111nf_vdwparam,       76
.equiv          nb111nf_Vvdw,           80
.equiv          nb111nf_p_tabscale,     84
.equiv          nb111nf_VFtab,          88
.equiv          nb111nf_invsqrta,       92
.equiv          nb111nf_dvda,           96
.equiv          nb111nf_p_gbtabscale,   100
.equiv          nb111nf_GBtab,          104
.equiv          nb111nf_p_nthreads,     108
.equiv          nb111nf_count,          112
.equiv          nb111nf_mtx,            116
.equiv          nb111nf_outeriter,      120
.equiv          nb111nf_inneriter,      124
.equiv          nb111nf_work,           128
	;# stack offsets for local variables  
	;# bottom of stack is cache-aligned for sse use 
.equiv          nb111nf_ixO,            0
.equiv          nb111nf_iyO,            16
.equiv          nb111nf_izO,            32
.equiv          nb111nf_ixH1,           48
.equiv          nb111nf_iyH1,           64
.equiv          nb111nf_izH1,           80
.equiv          nb111nf_ixH2,           96
.equiv          nb111nf_iyH2,           112
.equiv          nb111nf_izH2,           128
.equiv          nb111nf_iqO,            144
.equiv          nb111nf_iqH,            160
.equiv          nb111nf_qqO,            176
.equiv          nb111nf_qqH,            192
.equiv          nb111nf_c6,             208
.equiv          nb111nf_c12,            224
.equiv          nb111nf_vctot,          240
.equiv          nb111nf_Vvdwtot,        256
.equiv          nb111nf_half,           272
.equiv          nb111nf_three,          288
.equiv          nb111nf_is3,            304
.equiv          nb111nf_ii3,            308
.equiv          nb111nf_ntia,           312
.equiv          nb111nf_innerjjnr,      316
.equiv          nb111nf_innerk,         320
.equiv          nb111nf_n,              324
.equiv          nb111nf_nn1,            328
.equiv          nb111nf_nri,            332
.equiv          nb111nf_nouter,         336
.equiv          nb111nf_ninner,         340
.equiv          nb111nf_salign,         344
	push ebp
	mov ebp,esp	
    	push eax
    	push ebx
    	push ecx
    	push edx
	push esi
	push edi
	sub esp, 348		;# local stack space 
	mov  eax, esp
	and  eax, 0xf
	sub esp, eax
	mov [esp + nb111nf_salign], eax

	emms

	;# Move args passed by reference to stack
	mov ecx, [ebp + nb111nf_p_nri]
	mov ecx, [ecx]
	mov [esp + nb111nf_nri], ecx

	;# zero iteration counters
	mov eax, 0
	mov [esp + nb111nf_nouter], eax
	mov [esp + nb111nf_ninner], eax


	;# assume we have at least one i particle - start directly 
	mov   ecx, [ebp + nb111nf_iinr]       ;# ecx = pointer into iinr[] 	
	mov   ebx, [ecx]	    ;# ebx =ii 

	mov   edx, [ebp + nb111nf_charge]
	movss xmm3, [edx + ebx*4]	
	movss xmm4, [edx + ebx*4 + 4]	
	mov esi, [ebp + nb111nf_p_facel]
	movss xmm5, [esi]
	mulss  xmm3, xmm5
	mulss  xmm4, xmm5

	shufps xmm3, xmm3, 0
	shufps xmm4, xmm4, 0
	movaps [esp + nb111nf_iqO], xmm3
	movaps [esp + nb111nf_iqH], xmm4
	
	mov   edx, [ebp + nb111nf_type]
	mov   ecx, [edx + ebx*4]
	shl   ecx, 1
	mov edi, [ebp + nb111nf_p_ntype]
	imul  ecx, [edi]      ;# ecx = ntia = 2*ntype*type[ii0] 
	mov   [esp + nb111nf_ntia], ecx		

	;# create constant floating-point factors on stack
	mov eax, 0x3f000000     ;# constant 0.5 in IEEE (hex)
	mov [esp + nb111nf_half], eax
	movss xmm1, [esp + nb111nf_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 + nb111nf_half],  xmm1
	movaps [esp + nb111nf_three],  xmm3

.nb111nf_threadloop:
        mov   esi, [ebp + nb111nf_count]          ;# pointer to sync counter
        mov   eax, [esi]
.nb111nf_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 .nb111nf_spinlock

        ;# if(nn1>nri) nn1=nri
        mov ecx, [esp + nb111nf_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 + nb111nf_n], eax
        mov [esp + nb111nf_nn1], ebx
        sub ebx, eax                            ;# calc number of outer lists
	mov esi, eax				;# copy n to esi
        jg  .nb111nf_outerstart
        jmp .nb111nf_end

.nb111nf_outerstart:
	;# ebx contains number of outer iterations
	add ebx, [esp + nb111nf_nouter]
	mov [esp + nb111nf_nouter], ebx

.nb111nf_outer:
	mov   eax, [ebp + nb111nf_shift]      ;# eax = pointer into shift[] 
	mov   ebx, [eax+esi*4]		;# ebx=shift[n] 
	
	lea   ebx, [ebx + ebx*2]    ;# ebx=3*is 
	mov   [esp + nb111nf_is3],ebx    	;# store is3 

	mov   eax, [ebp + nb111nf_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 + nb111nf_iinr]       ;# ecx = pointer into iinr[] 	
	mov   ebx, [ecx+esi*4]	    ;# ebx =ii 

	movaps xmm3, xmm0
	movaps xmm4, xmm1
	movaps xmm5, xmm2

	lea   ebx, [ebx + ebx*2]	;# ebx = 3*ii=ii3 
	mov   eax, [ebp + nb111nf_pos]    ;# eax = base of pos[]  
	mov   [esp + nb111nf_ii3], ebx

	addss xmm3, [eax + ebx*4]
	addss xmm4, [eax + ebx*4 + 4]
	addss xmm5, [eax + ebx*4 + 8]		
	shufps xmm3, xmm3, 0
	shufps xmm4, xmm4, 0
	shufps xmm5, xmm5, 0
	movaps [esp + nb111nf_ixO], xmm3
	movaps [esp + nb111nf_iyO], xmm4
	movaps [esp + nb111nf_izO], xmm5

	movss xmm3, xmm0
	movss xmm4, xmm1
	movss xmm5, xmm2
	addss xmm0, [eax + ebx*4 + 12]
	addss xmm1, [eax + ebx*4 + 16]
	addss xmm2, [eax + ebx*4 + 20]		
	addss xmm3, [eax + ebx*4 + 24]
	addss xmm4, [eax + ebx*4 + 28]
	addss xmm5, [eax + ebx*4 + 32]		

	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 + nb111nf_ixH1], xmm0