nb_kernel103_ia32_sse.intel_syntax.s
来自「最著名最快的分子模拟软件」· S 代码 · 共 1,493 行 · 第 1/3 页
S
1,493 行
.equiv nb103nf_iyH2, 64.equiv nb103nf_izH2, 80.equiv nb103nf_ixM, 96.equiv nb103nf_iyM, 112.equiv nb103nf_izM, 128.equiv nb103nf_iqH, 144.equiv nb103nf_iqM, 160.equiv nb103nf_vctot, 176.equiv nb103nf_half, 192.equiv nb103nf_three, 208.equiv nb103nf_qqH, 224.equiv nb103nf_qqM, 240.equiv nb103nf_is3, 256.equiv nb103nf_ii3, 260.equiv nb103nf_innerjjnr, 264.equiv nb103nf_innerk, 268.equiv nb103nf_n, 272.equiv nb103nf_nn1, 276.equiv nb103nf_nri, 280.equiv nb103nf_nouter, 284.equiv nb103nf_ninner, 288.equiv nb103nf_salign, 292 push ebp mov ebp,esp push eax push ebx push ecx push edx push esi push edi sub esp, 296 ;# local stack space mov eax, esp and eax, 0xf sub esp, eax mov [esp + nb103nf_salign], eax emms ;# Move args passed by reference to stack mov ecx, [ebp + nb103nf_p_nri] mov ecx, [ecx] mov [esp + nb103nf_nri], ecx ;# zero iteration counters mov eax, 0 mov [esp + nb103nf_nouter], eax mov [esp + nb103nf_ninner], eax ;# create constant floating-point factors on stack mov eax, 0x3f000000 ;# constant 0.5 in IEEE (hex) mov [esp + nb103nf_half], eax movss xmm1, [esp + nb103nf_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 + nb103nf_half], xmm1 movaps [esp + nb103nf_three], xmm3 ;# assume we have at least one i particle - start directly mov ecx, [ebp + nb103nf_iinr] ;# ecx = pointer into iinr[] mov ebx, [ecx] ;# ebx =ii mov edx, [ebp + nb103nf_charge] movss xmm3, [edx + ebx*4 + 4] movss xmm4, [edx + ebx*4 + 12] mov esi, [ebp + nb103nf_p_facel] movss xmm5, [esi] mulss xmm3, xmm5 mulss xmm4, xmm5 shufps xmm3, xmm3, 0 shufps xmm4, xmm4, 0 movaps [esp + nb103nf_iqH], xmm3 movaps [esp + nb103nf_iqM], xmm4 .nb103nf_threadloop: mov esi, [ebp + nb103nf_count] ;# pointer to sync counter mov eax, [esi].nb103nf_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 .nb103nf_spinlock ;# if(nn1>nri) nn1=nri mov ecx, [esp + nb103nf_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 + nb103nf_n], eax mov [esp + nb103nf_nn1], ebx sub ebx, eax ;# calc number of outer lists mov esi, eax ;# copy n to esi jg .nb103nf_outerstart jmp .nb103nf_end .nb103nf_outerstart: ;# ebx contains number of outer iterations add ebx, [esp + nb103nf_nouter] mov [esp + nb103nf_nouter], ebx.nb103nf_outer: mov eax, [ebp + nb103nf_shift] ;# eax = pointer into shift[] mov ebx, [eax + esi*4] ;# ebx=shift[n] lea ebx, [ebx + ebx*2] ;# ebx=3*is mov [esp + nb103nf_is3],ebx ;# store is3 mov eax, [ebp + nb103nf_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 + nb103nf_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 + nb103nf_pos] ;# eax = base of pos[] mov [esp + nb103nf_ii3], ebx addss xmm3, [eax + ebx*4 + 12] addss xmm4, [eax + ebx*4 + 16] addss xmm5, [eax + ebx*4 + 20] shufps xmm3, xmm3, 0 shufps xmm4, xmm4, 0 shufps xmm5, xmm5, 0 movaps [esp + nb103nf_ixH1], xmm3 movaps [esp + nb103nf_iyH1], xmm4 movaps [esp + nb103nf_izH1], xmm5 movss xmm3, xmm0 movss xmm4, xmm1 movss xmm5, xmm2 addss xmm0, [eax + ebx*4 + 24] addss xmm1, [eax + ebx*4 + 28] addss xmm2, [eax + ebx*4 + 32] addss xmm3, [eax + ebx*4 + 36] addss xmm4, [eax + ebx*4 + 40] addss xmm5, [eax + ebx*4 + 44] 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 + nb103nf_ixH2], xmm0 movaps [esp + nb103nf_iyH2], xmm1 movaps [esp + nb103nf_izH2], xmm2 movaps [esp + nb103nf_ixM], xmm3 movaps [esp + nb103nf_iyM], xmm4 movaps [esp + nb103nf_izM], xmm5 ;# clear vctot xorps xmm4, xmm4 movaps [esp + nb103nf_vctot], xmm4 mov eax, [ebp + nb103nf_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 + nb103nf_pos] mov edi, [ebp + nb103nf_faction] mov eax, [ebp + nb103nf_jjnr] shl ecx, 2 add eax, ecx mov [esp + nb103nf_innerjjnr], eax ;# pointer to jjnr[nj0] mov ecx, edx sub edx, 4 add ecx, [esp + nb103nf_ninner] mov [esp + nb103nf_ninner], ecx add edx, 0 mov [esp + nb103nf_innerk], edx ;# number of innerloop atoms jge .nb103nf_unroll_loop jmp .nb103nf_odd_inner.nb103nf_unroll_loop: ;# quad-unroll innerloop here mov edx, [esp + nb103nf_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 + nb103nf_innerjjnr], 16 ;# advance pointer (unrolled 4) mov esi, [ebp + nb103nf_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 + nb103nf_iqH] mulps xmm4, [esp + nb103nf_iqM] movaps [esp + nb103nf_qqH], xmm3 movaps [esp + nb103nf_qqM], xmm4 mov esi, [ebp + nb103nf_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 ixH1-izH1 to xmm4-xmm6 movaps xmm4, [esp + nb103nf_ixH1] movaps xmm5, [esp + nb103nf_iyH1] movaps xmm6, [esp + nb103nf_izH1] ;# 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 ixH2-izH2 to xmm4-xmm6 movaps xmm4, [esp + nb103nf_ixH2] movaps xmm5, [esp + nb103nf_iyH2] movaps xmm6, [esp + nb103nf_izH2] ;# 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 ixM-izM to xmm3-xmm5 movaps xmm3, [esp + nb103nf_ixM] movaps xmm4, [esp + nb103nf_iyM] movaps xmm5, [esp + nb103nf_izM] ;# calc dr subps xmm3, xmm0 subps xmm4, xmm1 subps xmm5, xmm2 ;# square it mulps xmm3,xmm3 mulps xmm4,xmm4 mulps xmm5,xmm5 addps xmm5, xmm4 addps xmm5, xmm3 ;# rsqM in xmm5, rsqH2 in xmm6, rsqH1 in xmm7 ;# start with rsqH1 - seed in xmm2 rsqrtps xmm2, xmm7 movaps xmm3, xmm2 mulps xmm2, xmm2 movaps xmm4, [esp + nb103nf_three] mulps xmm2, xmm7 ;# rsq*lu*lu subps xmm4, xmm2 ;# constant 30-rsq*lu*lu mulps xmm4, xmm3 ;# lu*(3-rsq*lu*lu) mulps xmm4, [esp + nb103nf_half] movaps xmm7, xmm4 ;# rinvH1 in xmm7 ;# rsqH2 - seed in xmm2 rsqrtps xmm2, xmm6 movaps xmm3, xmm2 mulps xmm2, xmm2 movaps xmm4, [esp + nb103nf_three] mulps xmm2, xmm6 ;# rsq*lu*lu subps xmm4, xmm2 ;# constant 30-rsq*lu*lu mulps xmm4, xmm3 ;# lu*(3-rsq*lu*lu) mulps xmm4, [esp + nb103nf_half] movaps xmm6, xmm4 ;# rinvH2 in xmm6 ;# rsqM - seed in xmm2 rsqrtps xmm2, xmm5 movaps xmm3, xmm2 mulps xmm2, xmm2 movaps xmm4, [esp + nb103nf_three] mulps xmm2, xmm5 ;# rsq*lu*lu subps xmm4, xmm2 ;# constant 30-rsq*lu*lu mulps xmm4, xmm3 ;# lu*(3-rsq*lu*lu) mulps xmm4, [esp + nb103nf_half] movaps xmm5, xmm4 ;# rinvM in xmm5 ;# do H1 interactions - xmm7=rinv mulps xmm7, [esp + nb103nf_qqH] ;# xmm7=vcoul addps xmm7, [esp + nb103nf_vctot] movaps [esp + nb103nf_vctot], xmm7 ;# H2 interactions - xmm6=rinv mulps xmm6, [esp + nb103nf_qqH] ;# xmm6=vcoul addps xmm6, xmm7 movaps [esp + nb103nf_vctot], xmm6 ;# M interactions - xmm5=rinv mulps xmm5, [esp + nb103nf_qqM] ;# xmm5=vcoul addps xmm5, xmm6 movaps [esp + nb103nf_vctot], xmm5 ;# should we do one more iteration? sub dword ptr [esp + nb103nf_innerk], 4 jl .nb103nf_odd_inner jmp .nb103nf_unroll_loop.nb103nf_odd_inner: add dword ptr [esp + nb103nf_innerk], 4 jnz .nb103nf_odd_loop jmp .nb103nf_updateouterdata.nb103nf_odd_loop: mov edx, [esp + nb103nf_innerjjnr] ;# pointer to jjnr[k] mov eax, [edx] add dword ptr [esp + nb103nf_innerjjnr], 4 xorps xmm4, xmm4 movss xmm4, [esp + nb103nf_iqM] mov esi, [ebp + nb103nf_charge] movhps xmm4, [esp + nb103nf_iqH] movss xmm3, [esi + eax*4] ;# charge in xmm3 shufps xmm3, xmm3, 0 mulps xmm3, xmm4 movaps [esp + nb103nf_qqM], xmm3 ;# use dummy qq for storage mov esi, [ebp + nb103nf_pos] lea eax, [eax + eax*2] ;# move j coords to xmm0-xmm2 movss xmm0, [esi + eax*4] movss xmm1, [esi + eax*4 + 4] movss xmm2, [esi + eax*4 + 8] shufps xmm0, xmm0, 0 shufps xmm1, xmm1, 0 shufps xmm2, xmm2, 0 movss xmm3, [esp + nb103nf_ixM] movss xmm4, [esp + nb103nf_iyM] movss xmm5, [esp + nb103nf_izM] movlps xmm6, [esp + nb103nf_ixH1] movlps xmm7, [esp + nb103nf_ixH2] unpcklps xmm6, xmm7 movlhps xmm3, xmm6 movlps xmm6, [esp + nb103nf_iyH1] movlps xmm7, [esp + nb103nf_iyH2] unpcklps xmm6, xmm7 movlhps xmm4, xmm6 movlps xmm6, [esp + nb103nf_izH1] movlps xmm7, [esp + nb103nf_izH2] unpcklps xmm6, xmm7 movlhps xmm5, xmm6 subps xmm3, xmm0 subps xmm4, xmm1 subps xmm5, xmm2 mulps xmm3, xmm3 mulps xmm4, xmm4 mulps xmm5, xmm5 addps xmm4, xmm3 addps xmm4, xmm5 ;# rsq in xmm4 rsqrtps xmm5, xmm4 ;# lookup seed in xmm5 movaps xmm2, xmm5 mulps xmm5, xmm5 movaps xmm1, [esp + nb103nf_three] mulps xmm5, xmm4 ;# rsq*lu*lu movaps xmm0, [esp + nb103nf_half] subps xmm1, xmm5 ;# constant 30-rsq*lu*lu mulps xmm1, xmm2 mulps xmm0, xmm1 ;# xmm0=rinv ;# a little trick to avoid NaNs: ;# positions 0,2,and 3 are valid, but not 1. ;# If it contains NaN it doesnt help to mult by 0, ;# So we shuffle it and copy pos 0 to pos1! shufps xmm0, xmm0, 224 ;# constant 11100000 - xmm0=rinv movaps xmm3, [esp + nb103nf_qqM] mulps xmm3, xmm0 ;# xmm3=vcoul addps xmm3, [esp + nb103nf_vctot] movaps [esp + nb103nf_vctot], xmm3 dec dword ptr [esp + nb103nf_innerk] jz .nb103nf_updateouterdata jmp .nb103nf_odd_loop.nb103nf_updateouterdata: ;# get n from stack mov esi, [esp + nb103nf_n] ;# get group index for i particle mov edx, [ebp + nb103nf_gid] ;# base of gid[] mov edx, [edx + esi*4] ;# ggid=gid[n] ;# accumulate total potential energy and update it movaps xmm7, [esp + nb103nf_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 + nb103nf_Vc] addss xmm7, [eax + edx*4] ;# move back to mem movss [eax + edx*4], xmm7 ;# finish if last mov ecx, [esp + nb103nf_nn1] ;# esi already loaded with n inc esi sub ecx, esi jecxz .nb103nf_outerend ;# not last, iterate outer loop once more! mov [esp + nb103nf_n], esi jmp .nb103nf_outer.nb103nf_outerend: ;# check if more outer neighborlists remain mov ecx, [esp + nb103nf_nri] ;# esi already loaded with n above sub ecx, esi jecxz .nb103nf_end ;# non-zero, do one more workunit jmp .nb103nf_threadloop.nb103nf_end: emms mov eax, [esp + nb103nf_nouter] mov ebx, [esp + nb103nf_ninner] mov ecx, [ebp + nb103nf_outeriter] mov edx, [ebp + nb103nf_inneriter] mov [ecx], eax mov [edx], ebx mov eax, [esp + nb103nf_salign] add esp, eax add esp, 296 pop edi pop esi pop edx pop ecx pop ebx pop eax leave ret⌨️ 快捷键说明
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