nb_kernel310_ia32_sse2.intel_syntax.s
来自「最著名最快的分子模拟软件」· S 代码 · 共 1,424 行 · 第 1/3 页
S
1,424 行
mulpd xmm1, xmm4 mulpd xmm2, xmm4 ;# xmm0-xmm2 contains tx-tz (partial force) ;# now update f_i movapd xmm3, [esp + nb310_fix] movapd xmm4, [esp + nb310_fiy] movapd xmm5, [esp + nb310_fiz] addpd xmm3, xmm0 addpd xmm4, xmm1 addpd xmm5, xmm2 movapd [esp + nb310_fix], xmm3 movapd [esp + nb310_fiy], xmm4 movapd [esp + nb310_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] movhpd xmm3, [edi + ebx*8] movhpd xmm4, [edi + ebx*8 + 8] movhpd xmm5, [edi + ebx*8 + 16] subpd xmm3, xmm0 subpd xmm4, xmm1 subpd xmm5, xmm2 movlpd [edi + eax*8], xmm3 movlpd [edi + eax*8 + 8], xmm4 movlpd [edi + eax*8 + 16], xmm5 movhpd [edi + ebx*8], xmm3 movhpd [edi + ebx*8 + 8], xmm4 movhpd [edi + ebx*8 + 16], xmm5 ;# should we do one more iteration? sub dword ptr [esp + nb310_innerk], 2 jl .nb310_checksingle jmp .nb310_unroll_loop.nb310_checksingle: mov edx, [esp + nb310_innerk] and edx, 1 jnz .nb310_dosingle jmp .nb310_updateouterdata.nb310_dosingle: mov esi, [ebp + nb310_charge] mov edi, [ebp + nb310_pos] mov ecx, [esp + nb310_innerjjnr] mov eax, [ecx] xorpd xmm3, xmm3 movlpd xmm3, [esi + eax*8] movapd xmm2, [esp + nb310_iq] mulpd xmm3, xmm2 movapd [esp + nb310_qq], xmm3 movd mm0, eax ;# use mmx registers as temp storage mov esi, [ebp + nb310_type] mov eax, [esi + eax*4] mov esi, [ebp + nb310_vdwparam] shl eax, 1 mov edi, [esp + nb310_ntia] add eax, edi movlpd xmm6, [esi + eax*8] ;# c6a movhpd xmm6, [esi + eax*8 + 8] ;# c6a c12a xorpd xmm7, xmm7 movapd xmm4, xmm6 unpcklpd xmm4, xmm7 unpckhpd xmm6, xmm7 movd eax, mm0 movapd [esp + nb310_c6], xmm4 movapd [esp + nb310_c12], xmm6 mov esi, [ebp + nb310_pos] ;# base of pos[] lea eax, [eax + eax*2] ;# replace jnr with j3 ;# move coordinates to xmm0-xmm2 movlpd xmm0, [esi + eax*8] movlpd xmm1, [esi + eax*8 + 8] movlpd xmm2, [esi + eax*8 + 16] ;# move ix-iz to xmm4-xmm6 movapd xmm4, [esp + nb310_ix] movapd xmm5, [esp + nb310_iy] movapd xmm6, [esp + nb310_iz] ;# calc dr subsd xmm4, xmm0 subsd xmm5, xmm1 subsd xmm6, xmm2 ;# store dr movapd [esp + nb310_dx], xmm4 movapd [esp + nb310_dy], xmm5 movapd [esp + nb310_dz], xmm6 ;# square it mulsd xmm4,xmm4 mulsd xmm5,xmm5 mulsd xmm6,xmm6 addsd xmm4, xmm5 addsd xmm4, xmm6 ;# rsq in xmm4 cvtsd2ss xmm5, xmm4 rsqrtss xmm5, xmm5 cvtss2sd xmm2, xmm5 ;# lu in low xmm2 ;# lookup seed in xmm2 movapd xmm5, xmm2 ;# copy of lu mulsd xmm2, xmm2 ;# lu*lu movapd xmm1, [esp + nb310_three] mulsd xmm2, xmm4 ;# rsq*lu*lu movapd xmm0, [esp + nb310_half] subsd xmm1, xmm2 ;# 30-rsq*lu*lu mulsd xmm1, xmm5 mulsd xmm1, xmm0 ;# xmm0=iter1 of rinv (new lu) movapd xmm5, xmm1 ;# copy of lu mulsd xmm1, xmm1 ;# lu*lu movapd xmm2, [esp + nb310_three] mulsd xmm1, xmm4 ;# rsq*lu*lu movapd xmm0, [esp + nb310_half] subsd xmm2, xmm1 ;# 30-rsq*lu*lu mulsd xmm2, xmm5 mulsd xmm0, xmm2 ;# xmm0=rinv mulsd xmm4, xmm0 ;# xmm4=r mulsd xmm4, [esp + nb310_tsc] movd mm0, eax cvttsd2si eax, xmm4 ;# mm6 = lu idx cvtsi2sd xmm5, eax subsd xmm4, xmm5 movapd xmm1, xmm4 ;# xmm1=eps movapd xmm2, xmm1 mulsd xmm2, xmm2 ;# xmm2=eps2 shl eax, 2 ;# idx *= 4 mov esi, [ebp + nb310_VFtab] movlpd xmm4, [esi + eax*8] ;# Y1 movhpd xmm4, [esi + eax*8 + 8] ;# Y1 F1 xorpd xmm3, xmm3 movapd xmm5, xmm4 unpcklpd xmm4, xmm3 ;# Y1 unpckhpd xmm5, xmm3 ;# F1 movlpd xmm6, [esi + eax*8 + 16] ;# G1 movhpd xmm6, [esi + eax*8 + 24] ;# G1 H1 xorpd xmm3, xmm3 movapd xmm7, xmm6 unpcklpd xmm6, xmm3 ;# G1 unpckhpd xmm7, xmm3 ;# H1 ;# coulomb table ready, in xmm4-xmm7 mulsd xmm6, xmm1 ;# xmm6=Geps mulsd xmm7, xmm2 ;# xmm7=Heps2 addsd xmm5, xmm6 addsd xmm5, xmm7 ;# xmm5=Fp mulsd xmm7, [esp + nb310_two] ;# two*Heps2 movapd xmm3, [esp + nb310_qq] addsd xmm7, xmm6 addsd xmm7, xmm5 ;# xmm7=FF mulsd xmm5, xmm1 ;# xmm5=eps*Fp addsd xmm5, xmm4 ;# xmm5=VV mulsd xmm5, xmm3 ;# vcoul=qq*VV mulsd xmm3, xmm7 ;# fijC=FF*qq ;# at this point mm5 contains vcoul and mm3 fijC ;# L-J movapd xmm4, xmm0 mulsd xmm4, xmm0 ;# xmm4=rinvsq ;# increment vcoul - then we can get rid of mm5 ;# update vctot addsd xmm5, [esp + nb310_vctot] movapd xmm6, xmm4 mulsd xmm6, xmm4 movlpd [esp + nb310_vctot], xmm5 mulsd xmm6, xmm4 ;# xmm6=rinvsix movapd xmm4, xmm6 mulsd xmm4, xmm4 ;# xmm4=rinvtwelve mulsd xmm6, [esp + nb310_c6] mulsd xmm4, [esp + nb310_c12] movapd xmm7, [esp + nb310_Vvdwtot] addsd xmm7, xmm4 mulsd xmm4, [esp + nb310_twelve] subsd xmm7, xmm6 mulsd xmm3, [esp + nb310_tsc] mulsd xmm6, [esp + nb310_six] movlpd [esp + nb310_Vvdwtot], xmm7 subsd xmm4, xmm6 mulsd xmm4, xmm0 subsd xmm4, xmm3 mulsd xmm4, xmm0 movapd xmm0, [esp + nb310_dx] movapd xmm1, [esp + nb310_dy] movapd xmm2, [esp + nb310_dz] movd eax, mm0 mov edi, [ebp + nb310_faction] mulsd xmm0, xmm4 mulsd xmm1, xmm4 mulsd xmm2, xmm4 ;# xmm0-xmm2 contains tx-tz (partial force) ;# now update f_i movapd xmm3, [esp + nb310_fix] movapd xmm4, [esp + nb310_fiy] movapd xmm5, [esp + nb310_fiz] addsd xmm3, xmm0 addsd xmm4, xmm1 addsd xmm5, xmm2 movlpd [esp + nb310_fix], xmm3 movlpd [esp + nb310_fiy], xmm4 movlpd [esp + nb310_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 .nb310_updateouterdata: mov ecx, [esp + nb310_ii3] mov edi, [ebp + nb310_faction] mov esi, [ebp + nb310_fshift] mov edx, [esp + nb310_is3] ;# accumulate i forces in xmm0, xmm1, xmm2 movapd xmm0, [esp + nb310_fix] movapd xmm1, [esp + nb310_fiy] movapd xmm2, [esp + nb310_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 + nb310_n] ;# get group index for i particle mov edx, [ebp + nb310_gid] ;# base of gid[] mov edx, [edx + esi*4] ;# ggid=gid[n] ;# accumulate total potential energy and update it movapd xmm7, [esp + nb310_vctot] ;# accumulate movhlps xmm6, xmm7 addsd xmm7, xmm6 ;# low xmm7 has the sum now ;# add earlier value from mem mov eax, [ebp + nb310_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 + nb310_Vvdwtot] ;# accumulate movhlps xmm6, xmm7 addsd xmm7, xmm6 ;# low xmm7 has the sum now ;# add earlier value from mem mov eax, [ebp + nb310_Vvdw] addsd xmm7, [eax + edx*8] ;# move back to mem movsd [eax + edx*8], xmm7 ;# finish if last mov ecx, [esp + nb310_nn1] ;# esi already loaded with n inc esi sub ecx, esi jz .nb310_outerend ;# not last, iterate outer loop once more! mov [esp + nb310_n], esi jmp .nb310_outer.nb310_outerend: ;# check if more outer neighborlists remain mov ecx, [esp + nb310_nri] ;# esi already loaded with n above sub ecx, esi jz .nb310_end ;# non-zero, do one more workunit jmp .nb310_threadloop.nb310_end: emms mov eax, [esp + nb310_nouter] mov ebx, [esp + nb310_ninner] mov ecx, [ebp + nb310_outeriter] mov edx, [ebp + nb310_inneriter] mov [ecx], eax mov [edx], ebx mov eax, [esp + nb310_salign] add esp, eax add esp, 408 pop edi pop esi pop edx pop ecx pop ebx pop eax leave ret.globl nb_kernel310nf_ia32_sse2.globl _nb_kernel310nf_ia32_sse2nb_kernel310nf_ia32_sse2: _nb_kernel310nf_ia32_sse2: .equiv nb310nf_p_nri, 8.equiv nb310nf_iinr, 12.equiv nb310nf_jindex, 16.equiv nb310nf_jjnr, 20.equiv nb310nf_shift, 24.equiv nb310nf_shiftvec, 28.equiv nb310nf_fshift, 32.equiv nb310nf_gid, 36.equiv nb310nf_pos, 40.equiv nb310nf_faction, 44.equiv nb310nf_charge, 48.equiv nb310nf_p_facel, 52.equiv nb310nf_argkrf, 56.equiv nb310nf_argcrf, 60.equiv nb310nf_Vc, 64.equiv nb310nf_type, 68.equiv nb310nf_p_ntype, 72.equiv nb310nf_vdwparam, 76.equiv nb310nf_Vvdw, 80.equiv nb310nf_p_tabscale, 84.equiv nb310nf_VFtab, 88.equiv nb310nf_invsqrta, 92.equiv nb310nf_dvda, 96.equiv nb310nf_p_gbtabscale, 100.equiv nb310nf_GBtab, 104.equiv nb310nf_p_nthreads, 108.equiv nb310nf_count, 112.equiv nb310nf_mtx, 116.equiv nb310nf_outeriter, 120.equiv nb310nf_inneriter, 124.equiv nb310nf_work, 128 ;# stack offsets for local variables ;# bottom of stack is cache-aligned for sse use .equiv nb310nf_ix, 0.equiv nb310nf_iy, 16.equiv nb310nf_iz, 32.equiv nb310nf_iq, 48.equiv nb310nf_tsc, 64.equiv nb310nf_qq, 80.equiv nb310nf_c6, 96.equiv nb310nf_c12, 112.equiv nb310nf_vctot, 128.equiv nb310nf_Vvdwtot, 144.equiv nb310nf_half, 160.equiv nb310nf_three, 176.equiv nb310nf_is3, 192.equiv nb310nf_ii3, 196.equiv nb310nf_ntia, 200.equiv nb310nf_innerjjnr, 204.equiv nb310nf_innerk, 208.equiv nb310nf_n, 212.equiv nb310nf_nn1, 216.equiv nb310nf_nri, 220.equiv nb310nf_facel, 224 ;# uses 8 bytes.equiv nb310nf_ntype, 232.equiv nb310nf_nouter, 236.equiv nb310nf_ninner, 240.equiv nb310nf_salign, 244 push ebp mov ebp,esp push eax push ebx push ecx push edx push esi push edi sub esp, 248 ;# local stack space mov eax, esp and eax, 0xf sub esp, eax mov [esp + nb310nf_salign], eax emms ;# Move args passed by reference to stack mov ecx, [ebp + nb310nf_p_nri] mov esi, [ebp + nb310nf_p_facel] mov edi, [ebp + nb310nf_p_ntype] mov ecx, [ecx] movsd xmm7, [esi] mov edi, [edi] mov [esp + nb310nf_nri], ecx movsd [esp + nb310nf_facel], xmm7 mov [esp + nb310nf_ntype], edi ;# zero iteration counters mov eax, 0 mov [esp + nb310nf_nouter], eax mov [esp + nb310nf_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 + nb310nf_half], eax mov [esp + nb310nf_half+4], ebx movsd xmm1, [esp + nb310nf_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 + nb310nf_half], xmm1 movapd [esp + nb310nf_three], xmm3 mov eax, [ebp + nb310nf_p_tabscale] movsd xmm5, [eax] shufpd xmm5, xmm5, 0 movapd [esp + nb310nf_tsc], xmm5.nb310nf_threadloop: mov esi, [ebp + nb310nf_count] ;# pointer to sync counter mov eax, [esi].nb310nf_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 .nb310nf_spinlock ;# if(nn1>nri) nn1=nri mov ecx, [esp + nb310nf_nri] mov edx, ecx sub ecx, ebx⌨️ 快捷键说明
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