nb_kernel110_ia32_sse.intel_syntax.s
来自「最著名最快的分子模拟软件」· S 代码 · 共 1,532 行 · 第 1/3 页
S
1,532 行
mov edx, ebx mov ecx, [esi + ecx*4] mov edx, [esi + edx*4] mov esi, [ebp + nb110_vdwparam] shl ecx, 1 shl edx, 1 mov edi, [esp + nb110_ntia] add ecx, edi add edx, edi movlps xmm6, [esi + ecx*4] movhps xmm6, [esi + edx*4] mov edi, [ebp + nb110_pos] xorps xmm7,xmm7 movaps xmm4, xmm6 shufps xmm4, xmm4, 8 ;# constant 00001000 shufps xmm6, xmm6, 13 ;# constant 00001101 movlhps xmm4, xmm7 movlhps xmm6, xmm7 movaps [esp + nb110_c6], xmm4 movaps [esp + nb110_c12], xmm6 lea eax, [eax + eax*2] lea ebx, [ebx + ebx*2] ;# move coordinates to xmm0-xmm2 movlps xmm1, [edi + eax*4] movss xmm2, [edi + eax*4 + 8] movhps xmm1, [edi + ebx*4] movss xmm0, [edi + ebx*4 + 8] mulps xmm3, [esp + nb110_iq] movlhps xmm3, xmm7 shufps xmm2, xmm0, 0 movaps xmm0, xmm1 shufps xmm2, xmm2, 136 ;# constant 10001000 shufps xmm0, xmm0, 136 ;# constant 10001000 shufps xmm1, xmm1, 221 ;# constant 11011101 mov edi, [ebp + nb110_faction] ;# move ix-iz to xmm4-xmm6 xorps xmm7, xmm7 movaps xmm4, [esp + nb110_ix] movaps xmm5, [esp + nb110_iy] movaps xmm6, [esp + nb110_iz] ;# calc dr subps xmm4, xmm0 subps xmm5, xmm1 subps xmm6, xmm2 ;# store dr movaps [esp + nb110_dx], xmm4 movaps [esp + nb110_dy], xmm5 movaps [esp + nb110_dz], xmm6 ;# square it mulps xmm4,xmm4 mulps xmm5,xmm5 mulps xmm6,xmm6 addps xmm4, xmm5 addps xmm4, xmm6 ;# rsq in xmm4 rsqrtps xmm5, xmm4 ;# lookup seed in xmm5 movaps xmm2, xmm5 mulps xmm5, xmm5 movaps xmm1, [esp + nb110_three] mulps xmm5, xmm4 ;# rsq*lu*lu movaps xmm0, [esp + nb110_half] subps xmm1, xmm5 ;# constant 30-rsq*lu*lu mulps xmm1, xmm2 mulps xmm0, xmm1 ;# xmm0=rinv movaps xmm4, xmm0 mulps xmm4, xmm4 ;# xmm4=rinvsq movaps xmm1, xmm4 mulps xmm1, xmm4 mulps xmm1, xmm4 ;# xmm1=rinvsix movaps xmm2, xmm1 mulps xmm2, xmm2 ;# xmm2=rinvtwelve mulps xmm3, xmm0 ;# xmm3=vcoul mulps xmm1, [esp + nb110_c6] mulps xmm2, [esp + nb110_c12] movaps xmm5, xmm2 subps xmm5, xmm1 ;# Vvdw=Vvdw12-Vvdw6 addps xmm5, [esp + nb110_Vvdwtot] mulps xmm1, [esp + nb110_six] mulps xmm2, [esp + nb110_twelve] subps xmm2, xmm1 addps xmm2, xmm3 mulps xmm4, xmm2 ;# xmm4=total fscal addps xmm3, [esp + nb110_vctot] movaps xmm0, [esp + nb110_dx] movaps xmm1, [esp + nb110_dy] movaps xmm2, [esp + nb110_dz] movaps [esp + nb110_vctot], xmm3 movaps [esp + nb110_Vvdwtot], xmm5 mulps xmm0, xmm4 mulps xmm1, xmm4 mulps xmm2, xmm4 ;# xmm0-xmm2 contains tx-tz (partial force) ;# now update f_i movaps xmm3, [esp + nb110_fix] movaps xmm4, [esp + nb110_fiy] movaps xmm5, [esp + nb110_fiz] addps xmm3, xmm0 addps xmm4, xmm1 addps xmm5, xmm2 movaps [esp + nb110_fix], xmm3 movaps [esp + nb110_fiy], xmm4 movaps [esp + nb110_fiz], xmm5 ;# update the fj's 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 shufps xmm0, xmm0, 225 ;# constant 11100001 shufps xmm1, xmm1, 225 ;# constant 11100001 shufps xmm2, xmm2, 225 ;# constant 11100001 movss xmm3, [edi + ebx*4] movss xmm4, [edi + ebx*4 + 4] movss xmm5, [edi + ebx*4 + 8] subss xmm3, xmm0 subss xmm4, xmm1 subss xmm5, xmm2 movss [edi + ebx*4], xmm3 movss [edi + ebx*4 + 4], xmm4 movss [edi + ebx*4 + 8], xmm5 .nb110_checksingle: mov edx, [esp + nb110_innerk] and edx, 1 jnz .nb110_dosingle jmp .nb110_updateouterdata.nb110_dosingle: mov esi, [ebp + nb110_charge] mov edi, [ebp + nb110_pos] mov ecx, [esp + nb110_innerjjnr] xorps xmm3, xmm3 mov eax, [ecx] movss xmm3, [esi + eax*4] ;# xmm3(0) has the charge mov esi, [ebp + nb110_type] mov ecx, eax mov ecx, [esi + ecx*4] mov esi, [ebp + nb110_vdwparam] shl ecx, 1 add ecx, [esp + nb110_ntia] xorps xmm6, xmm6 movlps xmm6, [esi + ecx*4] movaps xmm4, xmm6 shufps xmm4, xmm4, 252 ;# constant 11111100 shufps xmm6, xmm6, 253 ;# constant 11111101 movaps [esp + nb110_c6], xmm4 movaps [esp + nb110_c12], xmm6 lea eax, [eax + eax*2] ;# move coordinates to xmm0-xmm2 movss xmm0, [edi + eax*4] movss xmm1, [edi + eax*4 + 4] movss xmm2, [edi + eax*4 + 8] mulps xmm3, [esp + nb110_iq] xorps xmm7, xmm7 movaps xmm4, [esp + nb110_ix] movaps xmm5, [esp + nb110_iy] movaps xmm6, [esp + nb110_iz] ;# calc dr subps xmm4, xmm0 subps xmm5, xmm1 subps xmm6, xmm2 ;# store dr movaps [esp + nb110_dx], xmm4 movaps [esp + nb110_dy], xmm5 movaps [esp + nb110_dz], xmm6 ;# square it mulps xmm4,xmm4 mulps xmm5,xmm5 mulps xmm6,xmm6 addps xmm4, xmm5 addps xmm4, xmm6 ;# rsq in xmm4 rsqrtps xmm5, xmm4 ;# lookup seed in xmm5 movaps xmm2, xmm5 mulps xmm5, xmm5 movaps xmm1, [esp + nb110_three] mulps xmm5, xmm4 ;# rsq*lu*lu movaps xmm0, [esp + nb110_half] subps xmm1, xmm5 ;# constant 30-rsq*lu*lu mulps xmm1, xmm2 mulps xmm0, xmm1 ;# xmm0=rinv movaps xmm4, xmm0 mulps xmm4, xmm4 ;# xmm4=rinvsq movaps xmm1, xmm4 mulps xmm1, xmm4 mulps xmm1, xmm4 ;# xmm1=rinvsix movaps xmm2, xmm1 mulps xmm2, xmm2 ;# xmm2=rinvtwelve mulps xmm3, xmm0 ;# xmm3=vcoul mulps xmm1, [esp + nb110_c6] mulps xmm2, [esp + nb110_c12] movaps xmm5, xmm2 subps xmm5, xmm1 ;# Vvdw=Vvdw12-Vvdw6 addss xmm5, [esp + nb110_Vvdwtot] mulps xmm1, [esp + nb110_six] mulps xmm2, [esp + nb110_twelve] subps xmm2, xmm1 addps xmm2, xmm3 mulps xmm4, xmm2 ;# xmm4=total fscal addss xmm3, [esp + nb110_vctot] mov edi, [ebp + nb110_faction] movaps xmm0, [esp + nb110_dx] movaps xmm1, [esp + nb110_dy] movaps xmm2, [esp + nb110_dz] movss [esp + nb110_vctot], xmm3 movss [esp + nb110_Vvdwtot], xmm5 mulps xmm0, xmm4 mulps xmm1, xmm4 mulps xmm2, xmm4 ;# xmm0-xmm2 contains tx-tz (partial force) ;# now update f_i movaps xmm3, [esp + nb110_fix] movaps xmm4, [esp + nb110_fiy] movaps xmm5, [esp + nb110_fiz] addss xmm3, xmm0 addss xmm4, xmm1 addss xmm5, xmm2 movaps [esp + nb110_fix], xmm3 movaps [esp + nb110_fiy], xmm4 movaps [esp + nb110_fiz], xmm5 ;# update fj 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 .nb110_updateouterdata: mov ecx, [esp + nb110_ii3] mov edi, [ebp + nb110_faction] mov esi, [ebp + nb110_fshift] mov edx, [esp + nb110_is3] ;# accumulate i forces in xmm0, xmm1, xmm2 movaps xmm0, [esp + nb110_fix] movaps xmm1, [esp + nb110_fiy] movaps xmm2, [esp + nb110_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 + nb110_n] ;# get group index for i particle mov edx, [ebp + nb110_gid] ;# base of gid[] mov edx, [edx + esi*4] ;# ggid=gid[n] ;# accumulate total potential energy and update it movaps xmm7, [esp + nb110_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 + nb110_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 + nb110_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 + nb110_Vvdw] addss xmm7, [eax + edx*4] ;# move back to mem movss [eax + edx*4], xmm7 ;# finish if last mov ecx, [esp + nb110_nn1] ;# esi already loaded with n inc esi sub ecx, esi jecxz .nb110_outerend ;# not last, iterate outer loop once more! mov [esp + nb110_n], esi jmp .nb110_outer.nb110_outerend: ;# check if more outer neighborlists remain mov ecx, [esp + nb110_nri] ;# esi already loaded with n above sub ecx, esi jecxz .nb110_end ;# non-zero, do one more workunit jmp .nb110_threadloop.nb110_end: emms mov eax, [esp + nb110_nouter] mov ebx, [esp + nb110_ninner] mov ecx, [ebp + nb110_outeriter] mov edx, [ebp + nb110_inneriter] mov [ecx], eax mov [edx], ebx mov eax, [esp + nb110_salign] add esp, eax add esp, 340 pop edi pop esi pop edx pop ecx pop ebx pop eax leave ret.globl nb_kernel110nf_ia32_sse.globl _nb_kernel110nf_ia32_ssenb_kernel110nf_ia32_sse: _nb_kernel110nf_ia32_sse: .equiv nb110nf_p_nri, 8.equiv nb110nf_iinr, 12.equiv nb110nf_jindex, 16.equiv nb110nf_jjnr, 20.equiv nb110nf_shift, 24.equiv nb110nf_shiftvec, 28.equiv nb110nf_fshift, 32.equiv nb110nf_gid, 36.equiv nb110nf_pos, 40.equiv nb110nf_faction, 44.equiv nb110nf_charge, 48.equiv nb110nf_p_facel, 52.equiv nb110nf_p_krf, 56.equiv nb110nf_p_crf, 60.equiv nb110nf_Vc, 64.equiv nb110nf_type, 68.equiv nb110nf_p_ntype, 72.equiv nb110nf_vdwparam, 76.equiv nb110nf_Vvdw, 80.equiv nb110nf_p_tabscale, 84.equiv nb110nf_VFtab, 88.equiv nb110nf_invsqrta, 92.equiv nb110nf_dvda, 96.equiv nb110nf_p_gbtabscale, 100.equiv nb110nf_GBtab, 104.equiv nb110nf_p_nthreads, 108.equiv nb110nf_count, 112.equiv nb110nf_mtx, 116.equiv nb110nf_outeriter, 120.equiv nb110nf_inneriter, 124.equiv nb110nf_work, 128 ;# stack offsets for local variables ;# bottom of stack is cache-aligned for sse use .equiv nb110nf_ix, 0.equiv nb110nf_iy, 16.equiv nb110nf_iz, 32.equiv nb110nf_iq, 48.equiv nb110nf_c6, 64.equiv nb110nf_c12, 80.equiv nb110nf_vctot, 96.equiv nb110nf_Vvdwtot, 112.equiv nb110nf_half, 128.equiv nb110nf_three, 144.equiv nb110nf_is3, 160.equiv nb110nf_ii3, 164.equiv nb110nf_ntia, 168.equiv nb110nf_innerjjnr, 172.equiv nb110nf_innerk, 176.equiv nb110nf_n, 180.equiv nb110nf_nn1, 184.equiv nb110nf_nri, 188.equiv nb110nf_facel, 192.equiv nb110nf_ntype, 196.equiv nb110nf_nouter, 200.equiv nb110nf_ninner, 204.equiv nb110nf_salign, 208 push ebp mov ebp,esp push eax push ebx push ecx push edx push esi push edi sub esp, 216 ;# local stack space mov eax, esp and eax, 0xf sub esp, eax mov [esp + nb110nf_salign], eax emms ;# Move args passed by reference to stack mov ecx, [ebp + nb110nf_p_nri] mov esi, [ebp + nb110nf_p_facel] mov edi, [ebp + nb110nf_p_ntype] mov ecx, [ecx] mov esi, [esi] mov edi, [edi] mov [esp + nb110nf_nri], ecx mov [esp + nb110nf_facel], esi mov [esp + nb110nf_ntype], edi ;# zero iteration counters mov eax, 0 mov [esp + nb110nf_nouter], eax mov [esp + nb110nf_ninner], eax ;# create constant floating-point factors on stack mov eax, 0x3f000000 ;# constant 0.5 in IEEE (hex) mov [esp + nb110nf_half], eax movss xmm1, [esp + nb110nf_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 + nb110nf_half], xmm1 movaps [esp + nb110nf_three], xmm3.nb110nf_threadloop: mov esi, [ebp + nb110nf_count] ;# pointer to sync counter mov eax, [esi].nb110nf_spinlock: mov ebx, eax ;# ebx=*count=nn0 add ebx, 1 ;# ebx=nn1=nn0+10 lock⌨️ 快捷键说明
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