nb_kernel430_ia32_sse2.intel_syntax.s
来自「最著名最快的分子模拟软件」· S 代码 · 共 1,716 行 · 第 1/4 页
S
1,716 行
mov edi, [ebp + nb430_faction] mulsd xmm0, xmm4 mulsd xmm1, xmm4 mulsd xmm2, xmm4 ;# xmm0-xmm2 contains tx-tz (partial force) ;# now update f_i movapd xmm3, [esp + nb430_fix] movapd xmm4, [esp + nb430_fiy] movapd xmm5, [esp + nb430_fiz] addsd xmm3, xmm0 addsd xmm4, xmm1 addsd xmm5, xmm2 movlpd [esp + nb430_fix], xmm3 movlpd [esp + nb430_fiy], xmm4 movlpd [esp + nb430_fiz], xmm5 ;# the fj's - start by accumulating forces from memory movlpd xmm3, [edi + eax*8] movlpd xmm4, [edi + eax*8 + 8] movlpd xmm5, [edi + eax*8 + 16] subsd xmm3, xmm0 subsd xmm4, xmm1 subsd xmm5, xmm2 movlpd [edi + eax*8], xmm3 movlpd [edi + eax*8 + 8], xmm4 movlpd [edi + eax*8 + 16], xmm5.nb430_updateouterdata: mov ecx, [esp + nb430_ii3] mov edi, [ebp + nb430_faction] mov esi, [ebp + nb430_fshift] mov edx, [esp + nb430_is3] ;# accumulate i forces in xmm0, xmm1, xmm2 movapd xmm0, [esp + nb430_fix] movapd xmm1, [esp + nb430_fiy] movapd xmm2, [esp + nb430_fiz] 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 ;# increment fshift force movsd xmm3, [esi + edx*8] movsd xmm4, [esi + edx*8 + 8] movsd xmm5, [esi + edx*8 + 16] addsd xmm3, xmm0 addsd xmm4, xmm1 addsd xmm5, xmm2 movsd [esi + edx*8], xmm3 movsd [esi + edx*8 + 8], xmm4 movsd [esi + edx*8 + 16], xmm5 ;# get n from stack mov esi, [esp + nb430_n] ;# get group index for i particle mov edx, [ebp + nb430_gid] ;# base of gid[] mov edx, [edx + esi*4] ;# ggid=gid[n] ;# accumulate total potential energy and update it movapd xmm7, [esp + nb430_vctot] ;# accumulate movhlps xmm6, xmm7 addsd xmm7, xmm6 ;# low xmm7 has the sum now ;# add earlier value from mem mov eax, [ebp + nb430_Vc] addsd xmm7, [eax + edx*8] ;# move back to mem movsd [eax + edx*8], xmm7 ;# accumulate total lj energy and update it movapd xmm7, [esp + nb430_Vvdwtot] ;# accumulate movhlps xmm6, xmm7 addsd xmm7, xmm6 ;# low xmm7 has the sum now ;# add earlier value from mem mov eax, [ebp + nb430_Vvdw] addsd xmm7, [eax + edx*8] ;# move back to mem movsd [eax + edx*8], xmm7 ;# accumulate dVda and update it movapd xmm7, [esp + nb430_dvdasum] ;# accumulate movhlps xmm6, xmm7 addsd xmm7, xmm6 ;# low xmm7 has the sum now mov edx, [esp + nb430_ii] mov eax, [ebp + nb430_dvda] addsd xmm7, [eax + edx*8] movsd [eax + edx*8], xmm7 ;# finish if last mov ecx, [esp + nb430_nn1] ;# esi already loaded with n inc esi sub ecx, esi jz .nb430_outerend ;# not last, iterate outer loop once more! mov [esp + nb430_n], esi jmp .nb430_outer.nb430_outerend: ;# check if more outer neighborlists remain mov ecx, [esp + nb430_nri] ;# esi already loaded with n above sub ecx, esi jz .nb430_end ;# non-zero, do one more workunit jmp .nb430_threadloop.nb430_end: emms mov eax, [esp + nb430_nouter] mov ebx, [esp + nb430_ninner] mov ecx, [ebp + nb430_outeriter] mov edx, [ebp + nb430_inneriter] mov [ecx], eax mov [edx], ebx mov eax, [esp + nb430_salign] add esp, eax add esp, 484 pop edi pop esi pop edx pop ecx pop ebx pop eax leave ret .globl nb_kernel430nf_ia32_sse2.globl _nb_kernel430nf_ia32_sse2nb_kernel430nf_ia32_sse2: _nb_kernel430nf_ia32_sse2: .equiv nb430nf_p_nri, 8.equiv nb430nf_iinr, 12.equiv nb430nf_jindex, 16.equiv nb430nf_jjnr, 20.equiv nb430nf_shift, 24.equiv nb430nf_shiftvec, 28.equiv nb430nf_fshift, 32.equiv nb430nf_gid, 36.equiv nb430nf_pos, 40.equiv nb430nf_faction, 44.equiv nb430nf_charge, 48.equiv nb430nf_p_facel, 52.equiv nb430nf_argkrf, 56.equiv nb430nf_argcrf, 60.equiv nb430nf_Vc, 64.equiv nb430nf_type, 68.equiv nb430nf_p_ntype, 72.equiv nb430nf_vdwparam, 76.equiv nb430nf_Vvdw, 80.equiv nb430nf_p_tabscale, 84.equiv nb430nf_VFtab, 88.equiv nb430nf_invsqrta, 92.equiv nb430nf_dvda, 96.equiv nb430nf_p_gbtabscale, 100.equiv nb430nf_GBtab, 104.equiv nb430nf_p_nthreads, 108.equiv nb430nf_count, 112.equiv nb430nf_mtx, 116.equiv nb430nf_outeriter, 120.equiv nb430nf_inneriter, 124.equiv nb430nf_work, 128 ;# stack offsets for local variables ;# bottom of stack is cache-aligned for sse2 use .equiv nb430nf_ix, 0.equiv nb430nf_iy, 16.equiv nb430nf_iz, 32.equiv nb430nf_iq, 48.equiv nb430nf_gbtsc, 64.equiv nb430nf_tsc, 80.equiv nb430nf_qq, 96.equiv nb430nf_c6, 112.equiv nb430nf_c12, 128.equiv nb430nf_vctot, 144.equiv nb430nf_Vvdwtot, 160.equiv nb430nf_half, 176.equiv nb430nf_three, 192.equiv nb430nf_r, 208.equiv nb430nf_isai, 224.equiv nb430nf_isaprod, 240.equiv nb430nf_gbscale, 256.equiv nb430nf_is3, 272.equiv nb430nf_ii3, 276.equiv nb430nf_ntia, 280.equiv nb430nf_innerjjnr, 284.equiv nb430nf_innerk, 288.equiv nb430nf_n, 292.equiv nb430nf_nn1, 296.equiv nb430nf_nri, 300.equiv nb430nf_facel, 304 ;# uses 8 bytes.equiv nb430nf_ntype, 312.equiv nb430nf_nouter, 316.equiv nb430nf_ninner, 320.equiv nb430nf_salign, 324 push ebp mov ebp,esp push eax push ebx push ecx push edx push esi push edi sub esp, 328 ;# local stack space mov eax, esp and eax, 0xf sub esp, eax mov [esp + nb430nf_salign], eax emms ;# Move args passed by reference to stack mov ecx, [ebp + nb430nf_p_nri] mov esi, [ebp + nb430nf_p_facel] mov edi, [ebp + nb430nf_p_ntype] mov ecx, [ecx] movsd xmm7, [esi] mov edi, [edi] mov [esp + nb430nf_nri], ecx movsd [esp + nb430nf_facel], xmm7 mov [esp + nb430nf_ntype], edi ;# zero iteration counters mov eax, 0 mov [esp + nb430nf_nouter], eax mov [esp + nb430nf_ninner], eax ;# create constant floating-point factors on stack mov eax, 0x00000000 ;# lower half of double 0.5 IEEE (hex) mov ebx, 0x3fe00000 mov [esp + nb430nf_half], eax mov [esp + nb430nf_half+4], ebx movsd xmm1, [esp + nb430nf_half] shufpd xmm1, xmm1, 0 ;# splat to all elements movapd xmm3, xmm1 addpd xmm3, xmm3 ;# 1.0 movapd xmm2, xmm3 addpd xmm2, xmm2 ;# 2.0 addpd xmm3, xmm2 ;# 3.0 movapd [esp + nb430nf_half], xmm1 movapd [esp + nb430nf_three], xmm3 mov eax, [ebp + nb430nf_p_tabscale] movsd xmm3, [eax] mov eax, [ebp + nb430nf_p_gbtabscale] movsd xmm4, [eax] shufpd xmm3, xmm3, 0 shufpd xmm4, xmm4, 0 movapd [esp + nb430nf_tsc], xmm3 movapd [esp + nb430nf_gbtsc], xmm4.nb430nf_threadloop: mov esi, [ebp + nb430nf_count] ;# pointer to sync counter mov eax, [esi].nb430nf_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 .nb430nf_spinlock ;# if(nn1>nri) nn1=nri mov ecx, [esp + nb430nf_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 + nb430nf_n], eax mov [esp + nb430nf_nn1], ebx sub ebx, eax ;# calc number of outer lists mov esi, eax ;# copy n to esi jg .nb430nf_outerstart jmp .nb430nf_end.nb430nf_outerstart: ;# ebx contains number of outer iterations add ebx, [esp + nb430nf_nouter] mov [esp + nb430nf_nouter], ebx.nb430nf_outer: mov eax, [ebp + nb430nf_shift] ;# eax = pointer into shift[] mov ebx, [eax+esi*4] ;# ebx=shift[n] lea ebx, [ebx + ebx*2] ;# ebx=3*is mov [esp + nb430nf_is3],ebx ;# store is3 mov eax, [ebp + nb430nf_shiftvec] ;# eax = base of shiftvec[] movsd xmm0, [eax + ebx*8] movsd xmm1, [eax + ebx*8 + 8] movsd xmm2, [eax + ebx*8 + 16] mov ecx, [ebp + nb430nf_iinr] ;# ecx = pointer into iinr[] mov ebx, [ecx+esi*4] ;# ebx =ii mov edx, [ebp + nb430nf_charge] movsd xmm3, [edx + ebx*8] mulsd xmm3, [esp + nb430nf_facel] shufpd xmm3, xmm3, 0 mov edx, [ebp + nb430nf_invsqrta] ;# load invsqrta[ii] movsd xmm4, [edx + ebx*8] shufpd xmm4, xmm4, 0 mov edx, [ebp + nb430nf_type] mov edx, [edx + ebx*4] imul edx, [esp + nb430nf_ntype] shl edx, 1 mov [esp + nb430nf_ntia], edx lea ebx, [ebx + ebx*2] ;# ebx = 3*ii=ii3 mov eax, [ebp + nb430nf_pos] ;# eax = base of pos[] addsd xmm0, [eax + ebx*8] addsd xmm1, [eax + ebx*8 + 8] addsd xmm2, [eax + ebx*8 + 16] movapd [esp + nb430nf_iq], xmm3 movapd [esp + nb430nf_isai], xmm4 shufpd xmm0, xmm0, 0 shufpd xmm1, xmm1, 0 shufpd xmm2, xmm2, 0 movapd [esp + nb430nf_ix], xmm0 movapd [esp + nb430nf_iy], xmm1 movapd [esp + nb430nf_iz], xmm2 mov [esp + nb430nf_ii3], ebx ;# clear vctot xorpd xmm4, xmm4 movapd [esp + nb430nf_vctot], xmm4 movapd [esp + nb430nf_Vvdwtot], xmm4 mov eax, [ebp + nb430nf_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 + nb430nf_pos] mov edi, [ebp + nb430nf_faction] mov eax, [ebp + nb430nf_jjnr] shl ecx, 2 add eax, ecx mov [esp + nb430nf_innerjjnr], eax ;# pointer to jjnr[nj0] mov ecx, edx sub edx, 2 add ecx, [esp + nb430nf_ninner] mov [esp + nb430nf_ninner], ecx add edx, 0 mov [esp + nb430nf_innerk], edx ;# number of innerloop atoms jge .nb430nf_unroll_loop jmp .nb430nf_checksingle.nb430nf_unroll_loop: ;# twice unrolled innerloop here mov edx, [esp + nb430nf_innerjjnr] ;# pointer to jjnr[k] mov eax, [edx] mov ebx, [edx + 4] add dword ptr [esp + nb430nf_innerjjnr], 8 ;# advance pointer (unrolled 2) ;# load isaj mov esi, [ebp + nb430nf_invsqrta] movlpd xmm2, [esi + eax*8] movhpd xmm2, [esi + ebx*8] mulpd xmm2, [esp + nb430nf_isai] movapd [esp + nb430nf_isaprod], xmm2 movapd xmm1, xmm2 mulpd xmm1, [esp + nb430nf_gbtsc] movapd [esp + nb430nf_gbscale], xmm1 mov esi, [ebp + nb430nf_charge] ;# base of charge[] movlpd xmm3, [esi + eax*8] movhpd xmm3, [esi + ebx*8] mulpd xmm2, [esp + nb430nf_iq] mulpd xmm3, xmm2 movapd [esp + nb430nf_qq], xmm3 mov esi, [ebp + nb430nf_type] mov ecx, [esi + eax*4] mov edx, [esi + ebx*4] mov esi, [ebp + nb430nf_vdwparam] shl ecx, 1 shl edx, 1 mov edi, [esp + nb430nf_ntia] add ecx, edi add edx, edi movlpd xmm6, [esi + ecx*8] ;# c6a movlpd xmm7, [esi + edx*8] ;# c6b movhpd xmm6, [esi + ecx*8 + 8] ;# c6a c12a movhpd xmm7, [esi + edx*8 + 8] ;# c6b c12b movapd xmm4, xmm6 unpcklpd xmm4, xmm7 unpckhpd xmm6, xmm7 movapd [esp + nb430nf_c6], xmm4 movapd [esp + nb430nf_c12], xmm6 mov esi, [ebp + nb430nf_pos] ;# base of pos[]
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