nb_kernel130_ia32_sse.intel_syntax.s
来自「最著名最快的分子模拟软件」· S 代码 · 共 2,015 行 · 第 1/4 页
S
2,015 行
addss xmm5, [esp + nb130_Vvdwtot] movss [esp + nb130_Vvdwtot], xmm5 mulss xmm3, xmm0 movd eax, mm0 movaps xmm0, [esp + nb130_dx] movaps xmm1, [esp + nb130_dy] movaps xmm2, [esp + nb130_dz] mulss xmm0, xmm3 mulss xmm1, xmm3 mulss xmm2, xmm3 ;# xmm0-xmm2 contains tx-tz (partial force) ;# now update f_i movaps xmm3, [esp + nb130_fix] movaps xmm4, [esp + nb130_fiy] movaps xmm5, [esp + nb130_fiz] addss xmm3, xmm0 addss xmm4, xmm1 addss xmm5, xmm2 movaps [esp + nb130_fix], xmm3 movaps [esp + nb130_fiy], xmm4 movaps [esp + nb130_fiz], xmm5 ;# update fj mov edi, [ebp + nb130_faction] movss xmm3, [edi + eax*4] movss xmm4, [edi + eax*4 + 4] movss xmm5, [edi + eax*4 + 8] subss xmm3, xmm0 subss xmm4, xmm1 subss xmm5, xmm2 movss [edi + eax*4], xmm3 movss [edi + eax*4 + 4], xmm4 movss [edi + eax*4 + 8], xmm5 .nb130_updateouterdata: mov ecx, [esp + nb130_ii3] mov edi, [ebp + nb130_faction] mov esi, [ebp + nb130_fshift] mov edx, [esp + nb130_is3] ;# accumulate i forces in xmm0, xmm1, xmm2 movaps xmm0, [esp + nb130_fix] movaps xmm1, [esp + nb130_fiy] movaps xmm2, [esp + nb130_fiz] 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 ;# increment fshift force movss xmm3, [esi + edx*4] movss xmm4, [esi + edx*4 + 4] movss xmm5, [esi + edx*4 + 8] addss xmm3, xmm0 addss xmm4, xmm1 addss xmm5, xmm2 movss [esi + edx*4], xmm3 movss [esi + edx*4 + 4], xmm4 movss [esi + edx*4 + 8], xmm5 ;# get n from stack mov esi, [esp + nb130_n] ;# get group index for i particle mov edx, [ebp + nb130_gid] ;# base of gid[] mov edx, [edx + esi*4] ;# ggid=gid[n] ;# accumulate total potential energy and update it movaps xmm7, [esp + nb130_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 + nb130_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 + nb130_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 + nb130_Vvdw] addss xmm7, [eax + edx*4] ;# move back to mem movss [eax + edx*4], xmm7 ;# finish if last mov ecx, [esp + nb130_nn1] ;# esi already loaded with n inc esi sub ecx, esi jecxz .nb130_outerend ;# not last, iterate outer loop once more! mov [esp + nb130_n], esi jmp .nb130_outer.nb130_outerend: ;# check if more outer neighborlists remain mov ecx, [esp + nb130_nri] ;# esi already loaded with n above sub ecx, esi jecxz .nb130_end ;# non-zero, do one more workunit jmp .nb130_threadloop.nb130_end: emms mov eax, [esp + nb130_nouter] mov ebx, [esp + nb130_ninner] mov ecx, [ebp + nb130_outeriter] mov edx, [ebp + nb130_inneriter] mov [ecx], eax mov [edx], ebx mov eax, [esp + nb130_salign] add esp, eax add esp, 400 pop edi pop esi pop edx pop ecx pop ebx pop eax leave ret.globl nb_kernel130nf_ia32_sse.globl _nb_kernel130nf_ia32_ssenb_kernel130nf_ia32_sse: _nb_kernel130nf_ia32_sse: .equiv nb130nf_p_nri, 8.equiv nb130nf_iinr, 12.equiv nb130nf_jindex, 16.equiv nb130nf_jjnr, 20.equiv nb130nf_shift, 24.equiv nb130nf_shiftvec, 28.equiv nb130nf_fshift, 32.equiv nb130nf_gid, 36.equiv nb130nf_pos, 40.equiv nb130nf_faction, 44.equiv nb130nf_charge, 48.equiv nb130nf_p_facel, 52.equiv nb130nf_argkrf, 56.equiv nb130nf_argcrf, 60.equiv nb130nf_Vc, 64.equiv nb130nf_type, 68.equiv nb130nf_p_ntype, 72.equiv nb130nf_vdwparam, 76.equiv nb130nf_Vvdw, 80.equiv nb130nf_p_tabscale, 84.equiv nb130nf_VFtab, 88.equiv nb130nf_invsqrta, 92.equiv nb130nf_dvda, 96.equiv nb130nf_p_gbtabscale, 100.equiv nb130nf_GBtab, 104.equiv nb130nf_p_nthreads, 108.equiv nb130nf_count, 112.equiv nb130nf_mtx, 116.equiv nb130nf_outeriter, 120.equiv nb130nf_inneriter, 124.equiv nb130nf_work, 128 ;# stack offsets for local variables ;# bottom of stack is cache-aligned for sse use .equiv nb130nf_ix, 0.equiv nb130nf_iy, 16.equiv nb130nf_iz, 32.equiv nb130nf_iq, 48.equiv nb130nf_dx, 64.equiv nb130nf_dy, 80.equiv nb130nf_dz, 96.equiv nb130nf_c6, 112.equiv nb130nf_c12, 128.equiv nb130nf_tsc, 144.equiv nb130nf_vctot, 160.equiv nb130nf_Vvdwtot, 176.equiv nb130nf_half, 192.equiv nb130nf_three, 208.equiv nb130nf_krf, 224.equiv nb130nf_crf, 240.equiv nb130nf_is3, 256.equiv nb130nf_ii3, 260.equiv nb130nf_ntia, 264.equiv nb130nf_innerjjnr, 268.equiv nb130nf_innerk, 272.equiv nb130nf_n, 276.equiv nb130nf_nn1, 280.equiv nb130nf_nri, 284.equiv nb130nf_facel, 288.equiv nb130nf_ntype, 292.equiv nb130nf_nouter, 296.equiv nb130nf_ninner, 300.equiv nb130nf_salign, 304 push ebp mov ebp,esp push eax push ebx push ecx push edx push esi push edi sub esp, 304 ;# local stack space mov eax, esp and eax, 0xf sub esp, eax mov [esp + nb130nf_salign], eax emms ;# Move args passed by reference to stack mov ecx, [ebp + nb130nf_p_nri] mov esi, [ebp + nb130nf_p_facel] mov edi, [ebp + nb130nf_p_ntype] mov ecx, [ecx] mov esi, [esi] mov edi, [edi] mov [esp + nb130nf_nri], ecx mov [esp + nb130nf_facel], esi mov [esp + nb130nf_ntype], edi ;# zero iteration counters mov eax, 0 mov [esp + nb130nf_nouter], eax mov [esp + nb130nf_ninner], eax mov eax, [ebp + nb130nf_p_tabscale] movss xmm3, [eax] shufps xmm3, xmm3, 0 movaps [esp + nb130nf_tsc], xmm3 ;# create constant floating-point factors on stack mov eax, 0x3f000000 ;# constant 0.5 in IEEE (hex) mov [esp + nb130nf_half], eax movss xmm1, [esp + nb130nf_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 + nb130nf_half], xmm1 movaps [esp + nb130nf_three], xmm3.nb130nf_threadloop: mov esi, [ebp + nb130nf_count] ;# pointer to sync counter mov eax, [esi].nb130nf_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 .nb130nf_spinlock ;# if(nn1>nri) nn1=nri mov ecx, [esp + nb130nf_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 + nb130nf_n], eax mov [esp + nb130nf_nn1], ebx sub ebx, eax ;# calc number of outer lists mov esi, eax ;# copy n to esi jg .nb130nf_outerstart jmp .nb130nf_end.nb130nf_outerstart: ;# ebx contains number of outer iterations add ebx, [esp + nb130nf_nouter] mov [esp + nb130nf_nouter], ebx.nb130nf_outer: mov eax, [ebp + nb130nf_shift] ;# eax = pointer into shift[] mov ebx, [eax + esi*4] ;# ebx=shift[n] lea ebx, [ebx + ebx*2] ;# ebx=3*is mov [esp + nb130nf_is3],ebx ;# store is3 mov eax, [ebp + nb130nf_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 + nb130nf_iinr] ;# ecx = pointer into iinr[] mov ebx, [ecx + esi*4] ;# ebx =ii mov edx, [ebp + nb130nf_charge] movss xmm3, [edx + ebx*4] mulss xmm3, [esp + nb130nf_facel] shufps xmm3, xmm3, 0 mov edx, [ebp + nb130nf_type] mov edx, [edx + ebx*4] imul edx, [esp + nb130nf_ntype] shl edx, 1 mov [esp + nb130nf_ntia], edx lea ebx, [ebx + ebx*2] ;# ebx = 3*ii=ii3 mov eax, [ebp + nb130nf_pos] ;# eax = base of pos[] addss xmm0, [eax + ebx*4] addss xmm1, [eax + ebx*4 + 4] addss xmm2, [eax + ebx*4 + 8] movaps [esp + nb130nf_iq], xmm3 shufps xmm0, xmm0, 0 shufps xmm1, xmm1, 0 shufps xmm2, xmm2, 0 movaps [esp + nb130nf_ix], xmm0 movaps [esp + nb130nf_iy], xmm1 movaps [esp + nb130nf_iz], xmm2 mov [esp + nb130nf_ii3], ebx ;# clear vctot and i forces xorps xmm4, xmm4 movaps [esp + nb130nf_vctot], xmm4 movaps [esp + nb130nf_Vvdwtot], xmm4 mov eax, [ebp + nb130nf_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 + nb130nf_pos] mov eax, [ebp + nb130nf_jjnr] shl ecx, 2 add eax, ecx mov [esp + nb130nf_innerjjnr], eax ;# pointer to jjnr[nj0] mov ecx, edx sub edx, 4 add ecx, [esp + nb130nf_ninner] mov [esp + nb130nf_ninner], ecx add edx, 0 mov [esp + nb130nf_innerk], edx ;# number of innerloop atoms jge .nb130nf_unroll_loop jmp .nb130nf_finish_inner.nb130nf_unroll_loop: ;# quad-unroll innerloop here mov edx, [esp + nb130nf_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 + nb130nf_innerjjnr], 16 ;# advance pointer (unrolled 4) mov esi, [ebp + nb130nf_charge] ;# base of charge[] movss xmm3, [esi + eax*4] movss xmm4, [esi + ecx*4] movss xmm6, [esi + ebx*4] movss xmm7, [esi + edx*4] movaps xmm2, [esp + nb130nf_iq] shufps xmm3, xmm6, 0 shufps xmm4, xmm7, 0 shufps xmm3, xmm4, 136 ;# constant 10001000 ;# all charges in xmm3 movd mm0, eax ;# use mmx registers as temp storage movd mm1, ebx movd mm2, ecx movd mm3, edx mov esi, [ebp + nb130nf_type] mov eax, [esi + eax*4] mov ebx, [esi + ebx*4] mov ecx, [esi + ecx*4] mov edx, [esi + edx*4] mov esi, [ebp + nb130nf_vdwparam] shl eax, 1 shl ebx, 1 shl ecx, 1 shl edx, 1 mov edi, [esp + nb130nf_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 + nb130nf_c6], xmm4 movaps [esp + nb130nf_c12], xmm6 mov esi, [ebp + nb130nf_pos] ;# base of pos[] lea eax, [eax + eax*2] ;# replace jnr with j3 lea ebx, [ebx + ebx*2] mulps xmm3, xmm2 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 ix-iz to xmm4-xmm6 movaps xmm4, [esp + nb130nf_ix] movaps xmm5, [esp + nb130nf_iy] movaps xmm6, [esp + nb130nf_iz] ;# 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 ;# rsq in xmm4 movaps xmm7, [esp + nb130nf_krf] rsqrtps xmm5, xmm4 ;# lookup seed in xmm5 movaps xmm2, xmm5 mulps xmm5, xmm5 movaps xmm1, [esp + nb130nf_three] mulps xmm5, xmm4 ;# rsq*lu*lu
⌨️ 快捷键说明
复制代码Ctrl + C
搜索代码Ctrl + F
全屏模式F11
增大字号Ctrl + =
减小字号Ctrl + -
显示快捷键?