nb_kernel233_x86_64_sse.intel_syntax.s
来自「最著名最快的分子模拟软件」· S 代码 · 共 2,269 行 · 第 1/5 页
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mov rcx, [rbp + nb233_outeriter] mov rdx, [rbp + nb233_inneriter] mov [rcx], eax mov [rdx], ebx add rsp, 1096 emms pop r15 pop r14 pop r13 pop r12 pop rbx pop rbp ret .globl nb_kernel233nf_x86_64_sse.globl _nb_kernel233nf_x86_64_ssenb_kernel233nf_x86_64_sse: _nb_kernel233nf_x86_64_sse: ;# Room for return address and rbp (16 bytes).equiv nb233nf_fshift, 16.equiv nb233nf_gid, 24.equiv nb233nf_pos, 32.equiv nb233nf_faction, 40.equiv nb233nf_charge, 48.equiv nb233nf_p_facel, 56.equiv nb233nf_argkrf, 64.equiv nb233nf_argcrf, 72.equiv nb233nf_Vc, 80.equiv nb233nf_type, 88.equiv nb233nf_p_ntype, 96.equiv nb233nf_vdwparam, 104.equiv nb233nf_Vvdw, 112.equiv nb233nf_p_tabscale, 120.equiv nb233nf_VFtab, 128.equiv nb233nf_invsqrta, 136.equiv nb233nf_dvda, 144.equiv nb233nf_p_gbtabscale, 152.equiv nb233nf_GBtab, 160.equiv nb233nf_p_nthreads, 168.equiv nb233nf_count, 176.equiv nb233nf_mtx, 184.equiv nb233nf_outeriter, 192.equiv nb233nf_inneriter, 200.equiv nb233nf_work, 208 ;# stack offsets for local variables ;# bottom of stack is cache-aligned for sse use .equiv nb233nf_ixO, 0.equiv nb233nf_iyO, 16.equiv nb233nf_izO, 32.equiv nb233nf_ixH1, 48.equiv nb233nf_iyH1, 64.equiv nb233nf_izH1, 80.equiv nb233nf_ixH2, 96.equiv nb233nf_iyH2, 112.equiv nb233nf_izH2, 128.equiv nb233nf_ixM, 144.equiv nb233nf_iyM, 160.equiv nb233nf_izM, 176.equiv nb233nf_iqM, 192.equiv nb233nf_iqH, 208.equiv nb233nf_qqM, 224.equiv nb233nf_qqH, 240.equiv nb233nf_rinvH1, 256.equiv nb233nf_rinvH2, 272.equiv nb233nf_rinvM, 288.equiv nb233nf_tsc, 304.equiv nb233nf_c6, 320.equiv nb233nf_c12, 336.equiv nb233nf_krf, 352.equiv nb233nf_crf, 368.equiv nb233nf_krsqH1, 384.equiv nb233nf_krsqH2, 400.equiv nb233nf_krsqM, 416.equiv nb233nf_vctot, 432.equiv nb233nf_Vvdwtot, 448.equiv nb233nf_half, 464.equiv nb233nf_three, 480.equiv nb233nf_rsqO, 496.equiv nb233nf_facel, 512.equiv nb233nf_iinr, 520.equiv nb233nf_jindex, 528.equiv nb233nf_jjnr, 536.equiv nb233nf_shift, 544.equiv nb233nf_shiftvec, 552.equiv nb233nf_innerjjnr, 560.equiv nb233nf_nri, 568.equiv nb233nf_is3, 572.equiv nb233nf_ii3, 576.equiv nb233nf_ntia, 580.equiv nb233nf_innerk, 584.equiv nb233nf_n, 588.equiv nb233nf_nn1, 592.equiv nb233nf_nouter, 596.equiv nb233nf_ninner, 600 push rbp mov rbp, rsp push rbx emms push r12 push r13 push r14 push r15 sub rsp, 616 ;# local variable stack space (n*16+8) ;# zero 32-bit iteration counters mov eax, 0 mov [rsp + nb233nf_nouter], eax mov [rsp + nb233nf_ninner], eax mov edi, [rdi] mov [rsp + nb233nf_nri], edi mov [rsp + nb233nf_iinr], rsi mov [rsp + nb233nf_jindex], rdx mov [rsp + nb233nf_jjnr], rcx mov [rsp + nb233nf_shift], r8 mov [rsp + nb233nf_shiftvec], r9 mov rsi, [rbp + nb233nf_p_facel] movss xmm0, [rsi] movss [rsp + nb233nf_facel], xmm0 mov rax, [rbp + nb233nf_p_tabscale] movss xmm3, [rax] shufps xmm3, xmm3, 0 movaps [rsp + nb233nf_tsc], xmm3 mov rsi, [rbp + nb233nf_argkrf] mov rdi, [rbp + nb233nf_argcrf] movss xmm1, [rsi] movss xmm2, [rdi] shufps xmm1, xmm1, 0 shufps xmm2, xmm2, 0 movaps [rsp + nb233nf_krf], xmm1 movaps [rsp + nb233nf_crf], xmm2 ;# create constant floating-point factors on stack mov eax, 0x3f000000 ;# half in IEEE (hex) mov [rsp + nb233nf_half], eax movss xmm1, [rsp + nb233nf_half] shufps xmm1, xmm1, 0 ;# splat to all elements movaps xmm2, xmm1 addps xmm2, xmm2 ;# one movaps xmm3, xmm2 addps xmm2, xmm2 ;# two addps xmm3, xmm2 ;# three movaps [rsp + nb233nf_half], xmm1 movaps [rsp + nb233nf_three], xmm3 ;# assume we have at least one i particle - start directly mov rcx, [rsp + nb233nf_iinr] ;# rcx = pointer into iinr[] mov ebx, [rcx] ;# ebx =ii mov rdx, [rbp + nb233nf_charge] movss xmm4, [rdx + rbx*4 + 4] movss xmm3, [rdx + rbx*4 + 12] mov rsi, [rbp + nb233nf_p_facel] movss xmm0, [rsi] movss xmm5, [rsp + nb233nf_facel] mulss xmm3, xmm5 mulss xmm4, xmm5 shufps xmm3, xmm3, 0 shufps xmm4, xmm4, 0 movaps [rsp + nb233nf_iqM], xmm3 movaps [rsp + nb233nf_iqH], xmm4 mov rdx, [rbp + nb233nf_type] mov ecx, [rdx + rbx*4] shl ecx, 1 mov rdi, [rbp + nb233nf_p_ntype] imul ecx, [rdi] ;# rcx = ntia = 2*ntype*type[ii0] mov [rsp + nb233nf_ntia], ecx .nb233nf_threadloop: mov rsi, [rbp + nb233nf_count] ;# pointer to sync counter mov eax, [rsi].nb233nf_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 .nb233nf_spinlock ;# if(nn1>nri) nn1=nri mov ecx, [rsp + nb233nf_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 [rsp + nb233nf_n], eax mov [rsp + nb233nf_nn1], ebx sub ebx, eax ;# calc number of outer lists mov esi, eax ;# copy n to esi jg .nb233nf_outerstart jmp .nb233nf_end .nb233nf_outerstart: ;# ebx contains number of outer iterations add ebx, [rsp + nb233nf_nouter] mov [rsp + nb233nf_nouter], ebx.nb233nf_outer: mov rax, [rsp + nb233nf_shift] ;# eax = pointer into shift[] mov ebx, [rax + rsi*4] ;# ebx=shift[n] lea rbx, [rbx + rbx*2] ;# rbx=3*is mov [rsp + nb233nf_is3],ebx ;# store is3 mov rax, [rsp + nb233nf_shiftvec] ;# eax = base of shiftvec[] movss xmm0, [rax + rbx*4] movss xmm1, [rax + rbx*4 + 4] movss xmm2, [rax + rbx*4 + 8] mov rcx, [rsp + nb233nf_iinr] ;# ecx = pointer into iinr[] mov ebx, [rcx + rsi*4] ;# ebx =ii movaps xmm3, xmm0 movaps xmm4, xmm1 movaps xmm5, xmm2 movaps xmm6, xmm0 movaps xmm7, xmm1 lea rbx, [rbx + rbx*2] ;# rbx = 3*ii=ii3 mov rax, [rbp + nb233nf_pos] ;# eax = base of pos[] mov [rsp + nb233nf_ii3], ebx addss xmm3, [rax + rbx*4] ;# ox addss xmm4, [rax + rbx*4 + 4] ;# oy addss xmm5, [rax + rbx*4 + 8] ;# oz addss xmm6, [rax + rbx*4 + 12] ;# h1x addss xmm7, [rax + rbx*4 + 16] ;# h1y shufps xmm3, xmm3, 0 shufps xmm4, xmm4, 0 shufps xmm5, xmm5, 0 shufps xmm6, xmm6, 0 shufps xmm7, xmm7, 0 movaps [rsp + nb233nf_ixO], xmm3 movaps [rsp + nb233nf_iyO], xmm4 movaps [rsp + nb233nf_izO], xmm5 movaps [rsp + nb233nf_ixH1], xmm6 movaps [rsp + nb233nf_iyH1], xmm7 movss xmm6, xmm2 movss xmm3, xmm0 movss xmm4, xmm1 movss xmm5, xmm2 addss xmm6, [rax + rbx*4 + 20] ;# h1z addss xmm0, [rax + rbx*4 + 24] ;# h2x addss xmm1, [rax + rbx*4 + 28] ;# h2y addss xmm2, [rax + rbx*4 + 32] ;# h2z addss xmm3, [rax + rbx*4 + 36] ;# mx addss xmm4, [rax + rbx*4 + 40] ;# my addss xmm5, [rax + rbx*4 + 44] ;# mz shufps xmm6, xmm6, 0 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 [rsp + nb233nf_izH1], xmm6 movaps [rsp + nb233nf_ixH2], xmm0 movaps [rsp + nb233nf_iyH2], xmm1 movaps [rsp + nb233nf_izH2], xmm2 movaps [rsp + nb233nf_ixM], xmm3 movaps [rsp + nb233nf_iyM], xmm4 movaps [rsp + nb233nf_izM], xmm5 ;# clear vctot xorps xmm4, xmm4 movaps [rsp + nb233nf_vctot], xmm4 movaps [rsp + nb233nf_Vvdwtot], xmm4 mov rax, [rsp + nb233nf_jindex] mov ecx, [rax + rsi*4] ;# jindex[n] mov edx, [rax + rsi*4 + 4] ;# jindex[n+1] sub edx, ecx ;# number of innerloop atoms mov rsi, [rbp + nb233nf_pos] mov rax, [rsp + nb233nf_jjnr] shl ecx, 2 add rax, rcx mov [rsp + nb233nf_innerjjnr], rax ;# pointer to jjnr[nj0] mov ecx, edx sub edx, 4 add ecx, [rsp + nb233nf_ninner] mov [rsp + nb233nf_ninner], ecx add edx, 0 mov [rsp + nb233nf_innerk], edx ;# number of innerloop atoms jge .nb233nf_unroll_loop jmp .nb233nf_odd_inner.nb233nf_unroll_loop: ;# quad-unroll innerloop here mov rdx, [rsp + nb233nf_innerjjnr] ;# pointer to jjnr[k] mov eax, [rdx] mov ebx, [rdx + 4] mov ecx, [rdx + 8] mov edx, [rdx + 12] ;# eax-edx=jnr1-4 add qword ptr [rsp + nb233nf_innerjjnr], 16 ;# advance pointer (unrolled 4) mov rsi, [rbp + nb233nf_charge] ;# base of charge[] movss xmm3, [rsi + rax*4] movss xmm4, [rsi + rcx*4] movss xmm6, [rsi + rbx*4] movss xmm7, [rsi + rdx*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, [rsp + nb233nf_iqM] mulps xmm4, [rsp + nb233nf_iqH] movd mm0, eax ;# use mmx registers as temp storage movd mm1, ebx movd mm2, ecx movd mm3, edx movaps [rsp + nb233nf_qqM], xmm3 movaps [rsp + nb233nf_qqH], xmm4 mov rsi, [rbp + nb233nf_type] mov eax, [rsi + rax*4] mov ebx, [rsi + rbx*4] mov ecx, [rsi + rcx*4] mov edx, [rsi + rdx*4] mov rsi, [rbp + nb233nf_vdwparam] shl eax, 1 shl ebx, 1 shl ecx, 1 shl edx, 1 mov edi, [rsp + nb233nf_ntia] add eax, edi add ebx, edi add ecx, edi add edx, edi movlps xmm6, [rsi + rax*4] movlps xmm7, [rsi + rcx*4] movhps xmm6, [rsi + rbx*4] movhps xmm7, [rsi + rdx*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 [rsp + nb233nf_c6], xmm4 movaps [rsp + nb233nf_c12], xmm6 mov rsi, [rbp + nb233nf_pos] ;# base of pos[] lea rax, [rax + rax*2] ;# replace jnr with j3 lea rbx, [rbx + rbx*2] lea rcx, [rcx + rcx*2] ;# replace jnr with j3 lea rdx, [rdx + rdx*2] ;# move four coordinates to xmm0-xmm2 movlps xmm4, [rsi + rax*4] movlps xmm5, [rsi + rcx*4] movss xmm2, [rsi + rax*4 + 8] movss xmm6, [rsi + rcx*4 + 8] movhps xmm4, [rsi + rbx*4] movhps xmm5, [rsi + rdx*4] movss xmm0, [rsi + rbx*4 + 8] movss xmm1, [rsi + rdx*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 ixO-izO to xmm4-xmm6 movaps xmm4, [rsp + nb233nf_ixO] movaps xmm5, [rsp + nb233nf_iyO] movaps xmm6, [rsp + nb233nf_izO] ;# 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 ixH1-izH1 to xmm4-xmm6 movaps xmm4, [rsp + nb233nf_ixH1] movaps xmm5, [rsp + nb233nf_iyH1] movaps xmm6, [rsp + nb233nf_izH1] ;# 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 ixH2-izH2 to xmm3-xmm5 movaps xmm3, [rsp + nb233nf_ixH2] movaps xmm4, [rsp + nb233nf_iyH2] movaps xmm5, [rsp + nb233nf_izH2] ;# calc dr subps xmm3, xmm0 subps xmm4, xmm1 subps xmm5, xmm2⌨️ 快捷键说明
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