nb_kernel131_ia32_sse.intel_syntax.s
来自「最著名最快的分子模拟软件」· S 代码 · 共 2,031 行 · 第 1/4 页
S
2,031 行
xorps xmm5, xmm5 movaps xmm3, xmm0 movlps xmm6, [edi + eax*4] movss xmm7, [edi + eax*4 + 8] unpcklps xmm3, xmm1 movlhps xmm3, xmm5 unpckhps xmm0, xmm1 addps xmm0, xmm3 movhlps xmm3, xmm0 addps xmm0, xmm3 ;# x,y sum in xmm0 movhlps xmm1, xmm2 addss xmm2, xmm1 shufps xmm1, xmm1, 1 addss xmm2, xmm1 ;# z sum in xmm2 subps xmm6, xmm0 subss xmm7, xmm2 movlps [edi + eax*4], xmm6 movss [edi + eax*4 + 8], xmm7 dec dword ptr [esp + nb131_innerk] jz .nb131_updateouterdata jmp .nb131_odd_loop.nb131_updateouterdata: mov ecx, [esp + nb131_ii3] mov edi, [ebp + nb131_faction] mov esi, [ebp + nb131_fshift] mov edx, [esp + nb131_is3] ;# accumulate Oi forces in xmm0, xmm1, xmm2 movaps xmm0, [esp + nb131_fixO] movaps xmm1, [esp + nb131_fiyO] movaps xmm2, [esp + nb131_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 + nb131_fixH1] movaps xmm1, [esp + nb131_fiyH1] movaps xmm2, [esp + nb131_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 + nb131_fixH2] movaps xmm1, [esp + nb131_fiyH2] movaps xmm2, [esp + nb131_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 + nb131_n] ;# get group index for i particle mov edx, [ebp + nb131_gid] ;# base of gid[] mov edx, [edx + esi*4] ;# ggid=gid[n] ;# accumulate total potential energy and update it movaps xmm7, [esp + nb131_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 + nb131_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 + nb131_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 + nb131_Vvdw] addss xmm7, [eax + edx*4] ;# move back to mem movss [eax + edx*4], xmm7 ;# finish if last mov ecx, [esp + nb131_nn1] ;# esi already loaded with n inc esi sub ecx, esi jecxz .nb131_outerend ;# not last, iterate outer loop once more! mov [esp + nb131_n], esi jmp .nb131_outer.nb131_outerend: ;# check if more outer neighborlists remain mov ecx, [esp + nb131_nri] ;# esi already loaded with n above sub ecx, esi jecxz .nb131_end ;# non-zero, do one more workunit jmp .nb131_threadloop.nb131_end: emms mov eax, [esp + nb131_nouter] mov ebx, [esp + nb131_ninner] mov ecx, [ebp + nb131_outeriter] mov edx, [ebp + nb131_inneriter] mov [ecx], eax mov [edx], ebx mov eax, [esp + nb131_salign] add esp, eax add esp, 860 pop edi pop esi pop edx pop ecx pop ebx pop eax leave ret.globl nb_kernel131nf_ia32_sse.globl _nb_kernel131nf_ia32_ssenb_kernel131nf_ia32_sse: _nb_kernel131nf_ia32_sse: .equiv nb131nf_p_nri, 8.equiv nb131nf_iinr, 12.equiv nb131nf_jindex, 16.equiv nb131nf_jjnr, 20.equiv nb131nf_shift, 24.equiv nb131nf_shiftvec, 28.equiv nb131nf_fshift, 32.equiv nb131nf_gid, 36.equiv nb131nf_pos, 40.equiv nb131nf_faction, 44.equiv nb131nf_charge, 48.equiv nb131nf_p_facel, 52.equiv nb131nf_argkrf, 56.equiv nb131nf_argcrf, 60.equiv nb131nf_Vc, 64.equiv nb131nf_type, 68.equiv nb131nf_p_ntype, 72.equiv nb131nf_vdwparam, 76.equiv nb131nf_Vvdw, 80.equiv nb131nf_p_tabscale, 84.equiv nb131nf_VFtab, 88.equiv nb131nf_invsqrta, 92.equiv nb131nf_dvda, 96.equiv nb131nf_p_gbtabscale, 100.equiv nb131nf_GBtab, 104.equiv nb131nf_p_nthreads, 108.equiv nb131nf_count, 112.equiv nb131nf_mtx, 116.equiv nb131nf_outeriter, 120.equiv nb131nf_inneriter, 124.equiv nb131nf_work, 128 ;# stack offsets for local variables ;# bottom of stack is cache-aligned for sse use .equiv nb131nf_ixO, 0.equiv nb131nf_iyO, 16.equiv nb131nf_izO, 32.equiv nb131nf_ixH1, 48.equiv nb131nf_iyH1, 64.equiv nb131nf_izH1, 80.equiv nb131nf_ixH2, 96.equiv nb131nf_iyH2, 112.equiv nb131nf_izH2, 128.equiv nb131nf_iqO, 144.equiv nb131nf_iqH, 160.equiv nb131nf_qqO, 176.equiv nb131nf_qqH, 192.equiv nb131nf_c6, 208.equiv nb131nf_c12, 224.equiv nb131nf_tsc, 240.equiv nb131nf_vctot, 256.equiv nb131nf_Vvdwtot, 272.equiv nb131nf_half, 288.equiv nb131nf_three, 304.equiv nb131nf_krf, 320.equiv nb131nf_crf, 336.equiv nb131nf_rinvO, 400.equiv nb131nf_rinvH1, 416.equiv nb131nf_rinvH2, 432.equiv nb131nf_is3, 448.equiv nb131nf_ii3, 452.equiv nb131nf_ntia, 456.equiv nb131nf_innerjjnr, 460.equiv nb131nf_innerk, 464.equiv nb131nf_n, 468.equiv nb131nf_nn1, 472.equiv nb131nf_nri, 476.equiv nb131nf_nouter, 480.equiv nb131nf_ninner, 484.equiv nb131nf_salign, 488 push ebp mov ebp,esp push eax push ebx push ecx push edx push esi push edi sub esp, 492 ;# local stack space mov eax, esp and eax, 0xf sub esp, eax mov [esp + nb131nf_salign], eax emms ;# Move args passed by reference to stack mov ecx, [ebp + nb131nf_p_nri] mov ecx, [ecx] mov [esp + nb131nf_nri], ecx ;# zero iteration counters mov eax, 0 mov [esp + nb131nf_nouter], eax mov [esp + nb131nf_ninner], eax mov eax, [ebp + nb131nf_p_tabscale] movss xmm3, [eax] shufps xmm3, xmm3, 0 movaps [esp + nb131nf_tsc], xmm3 ;# create constant floating-point factors on stack mov eax, 0x3f000000 ;# constant 0.5 in IEEE (hex) mov [esp + nb131nf_half], eax movss xmm1, [esp + nb131nf_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 + nb131nf_half], xmm1 movaps [esp + nb131nf_three], xmm3 ;# assume we have at least one i particle - start directly mov ecx, [ebp + nb131nf_iinr] ;# ecx = pointer into iinr[] mov ebx, [ecx] ;# ebx =ii mov edx, [ebp + nb131nf_charge] movss xmm3, [edx + ebx*4] movss xmm4, [edx + ebx*4 + 4] mov esi, [ebp + nb131nf_p_facel] movss xmm5, [esi] mulss xmm3, xmm5 mulss xmm4, xmm5 shufps xmm3, xmm3, 0 shufps xmm4, xmm4, 0 movaps [esp + nb131nf_iqO], xmm3 movaps [esp + nb131nf_iqH], xmm4 mov edx, [ebp + nb131nf_type] mov ecx, [edx + ebx*4] shl ecx, 1 mov edi, [ebp + nb131nf_p_ntype] imul ecx, [edi] ;# ecx = ntia = 2*ntype*type[ii0] mov [esp + nb131nf_ntia], ecx .nb131nf_threadloop: mov esi, [ebp + nb131nf_count] ;# pointer to sync counter mov eax, [esi].nb131nf_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 .nb131nf_spinlock ;# if(nn1>nri) nn1=nri mov ecx, [esp + nb131nf_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 + nb131nf_n], eax mov [esp + nb131nf_nn1], ebx sub ebx, eax ;# calc number of outer lists mov esi, eax ;# copy n to esi jg .nb131nf_outerstart jmp .nb131nf_end.nb131nf_outerstart: ;# ebx contains number of outer iterations add ebx, [esp + nb131nf_nouter] mov [esp + nb131nf_nouter], ebx.nb131nf_outer: mov eax, [ebp + nb131nf_shift] ;# eax = pointer into shift[] mov ebx, [eax +esi*4] ;# ebx=shift[n] lea ebx, [ebx + ebx*2] ;# ebx=3*is mov [esp + nb131nf_is3],ebx ;# store is3 mov eax, [ebp + nb131nf_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 + nb131nf_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 + nb131nf_pos] ;# eax = base of pos[] mov [esp + nb131nf_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 + nb131nf_ixO], xmm3 movaps [esp + nb131nf_iyO], xmm4 movaps [esp + nb131nf_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 + nb131nf_ixH1], xmm0 movaps [esp + nb131nf_iyH1], xmm1 movaps [esp + nb131nf_izH1], xmm2 movaps [esp + nb131nf_ixH2], xmm3 movaps [esp + nb131nf_iyH2], xmm4 movaps [esp + nb131nf_izH2], xmm5 ;# clear vctot xorps xmm4, xmm4 movaps [esp + nb131nf_vctot], xmm4 movaps [esp + nb131nf_Vvdwtot], xmm4 mov eax, [ebp + nb131nf_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 + nb131nf_pos] mov eax, [ebp + nb131nf_jjnr] shl ecx, 2 add eax, ecx mov [esp + nb131nf_innerjjnr], eax ;# pointer to jjnr[nj0] mov ecx, edx sub edx, 4 add ecx, [esp + nb131nf_ninner] mov [esp + nb131nf_ninner], ecx add edx, 0 mov [esp + nb131nf_innerk], edx ;# number of innerloop atoms jge .nb131nf_unroll_loop jmp .nb131nf_odd_inner.nb131nf_unroll_loop: ;# quad-unroll innerloop here mov edx, [esp + nb131nf_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 + nb131nf_innerjjnr], 16 ;# advance pointer (unrolled 4) mov esi, [ebp + nb131nf_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
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