nb_kernel112_x86_64_sse.s
来自「最著名最快的分子模拟软件」· S 代码 · 共 2,103 行 · 第 1/5 页
S
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#### $Id: nb_kernel112_x86_64_sse.s,v 1.4.2.3 2006/09/22 08:32:48 lindahl Exp $#### Gromacs 4.0 Copyright (c) 1991-2003 ## David van der Spoel, Erik Lindahl#### This program is free software; you can redistribute it and/or## modify it under the terms of the GNU General Public License## as published by the Free Software Foundation; either version 2## of the License, or (at your option) any later version.#### To help us fund GROMACS development, we humbly ask that you cite## the research papers on the package. Check out http://www.gromacs.org## ## And Hey:## Gnomes, ROck Monsters And Chili Sauce##.globl nb_kernel112_x86_64_sse.globl _nb_kernel112_x86_64_ssenb_kernel112_x86_64_sse: _nb_kernel112_x86_64_sse: ## Room for return address and rbp (16 bytes).set nb112_fshift, 16.set nb112_gid, 24.set nb112_pos, 32.set nb112_faction, 40.set nb112_charge, 48.set nb112_p_facel, 56.set nb112_argkrf, 64.set nb112_argcrf, 72.set nb112_Vc, 80.set nb112_type, 88.set nb112_p_ntype, 96.set nb112_vdwparam, 104.set nb112_Vvdw, 112.set nb112_p_tabscale, 120.set nb112_VFtab, 128.set nb112_invsqrta, 136.set nb112_dvda, 144.set nb112_p_gbtabscale, 152.set nb112_GBtab, 160.set nb112_p_nthreads, 168.set nb112_count, 176.set nb112_mtx, 184.set nb112_outeriter, 192.set nb112_inneriter, 200.set nb112_work, 208 ## stack offsets for local variables ## bottom of stack is cache-aligned for sse use .set nb112_ixO, 0.set nb112_iyO, 16.set nb112_izO, 32.set nb112_ixH1, 48.set nb112_iyH1, 64.set nb112_izH1, 80.set nb112_ixH2, 96.set nb112_iyH2, 112.set nb112_izH2, 128.set nb112_jxO, 144.set nb112_jyO, 160.set nb112_jzO, 176.set nb112_jxH1, 192.set nb112_jyH1, 208.set nb112_jzH1, 224.set nb112_jxH2, 240.set nb112_jyH2, 256.set nb112_jzH2, 272.set nb112_dxOO, 288.set nb112_dyOO, 304.set nb112_dzOO, 320.set nb112_dxOH1, 336.set nb112_dyOH1, 352.set nb112_dzOH1, 368.set nb112_dxOH2, 384.set nb112_dyOH2, 400.set nb112_dzOH2, 416.set nb112_dxH1O, 432.set nb112_dyH1O, 448.set nb112_dzH1O, 464.set nb112_dxH1H1, 480.set nb112_dyH1H1, 496.set nb112_dzH1H1, 512.set nb112_dxH1H2, 528.set nb112_dyH1H2, 544.set nb112_dzH1H2, 560.set nb112_dxH2O, 576.set nb112_dyH2O, 592.set nb112_dzH2O, 608.set nb112_dxH2H1, 624.set nb112_dyH2H1, 640.set nb112_dzH2H1, 656.set nb112_dxH2H2, 672.set nb112_dyH2H2, 688.set nb112_dzH2H2, 704.set nb112_qqOO, 720.set nb112_qqOH, 736.set nb112_qqHH, 752.set nb112_c6, 768.set nb112_c12, 784.set nb112_six, 800.set nb112_twelve, 816.set nb112_vctot, 832.set nb112_Vvdwtot, 848.set nb112_fixO, 864.set nb112_fiyO, 880.set nb112_fizO, 896.set nb112_fixH1, 912.set nb112_fiyH1, 928.set nb112_fizH1, 944.set nb112_fixH2, 960.set nb112_fiyH2, 976.set nb112_fizH2, 992.set nb112_fjxO, 1008.set nb112_fjyO, 1024.set nb112_fjzO, 1040.set nb112_fjxH1, 1056.set nb112_fjyH1, 1072.set nb112_fjzH1, 1088.set nb112_fjxH2, 1104.set nb112_fjyH2, 1120.set nb112_fjzH2, 1136.set nb112_half, 1152.set nb112_three, 1168.set nb112_rsqOO, 1184.set nb112_rsqOH1, 1200.set nb112_rsqOH2, 1216.set nb112_rsqH1O, 1232.set nb112_rsqH1H1, 1248.set nb112_rsqH1H2, 1264.set nb112_rsqH2O, 1280.set nb112_rsqH2H1, 1296.set nb112_rsqH2H2, 1312.set nb112_rinvOO, 1328.set nb112_rinvOH1, 1344.set nb112_rinvOH2, 1360.set nb112_rinvH1O, 1376.set nb112_rinvH1H1, 1392.set nb112_rinvH1H2, 1408.set nb112_rinvH2O, 1424.set nb112_rinvH2H1, 1440.set nb112_rinvH2H2, 1456.set nb112_is3, 1472.set nb112_ii3, 1476.set nb112_nri, 1492.set nb112_iinr, 1500.set nb112_jindex, 1508.set nb112_jjnr, 1516.set nb112_shift, 1524.set nb112_shiftvec, 1532.set nb112_facel, 1540.set nb112_innerjjnr, 1548.set nb112_innerk, 1556.set nb112_n, 1560.set nb112_nn1, 1564.set nb112_nouter, 1568.set nb112_ninner, 1572 push %rbp movq %rsp,%rbp push %rbx push %r12 push %r13 push %r14 push %r15 subq $1592,%rsp emms ## zero 32-bit iteration counters movl $0,%eax movl %eax,nb112_nouter(%rsp) movl %eax,nb112_ninner(%rsp) movl (%rdi),%edi movl %edi,nb112_nri(%rsp) movq %rsi,nb112_iinr(%rsp) movq %rdx,nb112_jindex(%rsp) movq %rcx,nb112_jjnr(%rsp) movq %r8,nb112_shift(%rsp) movq %r9,nb112_shiftvec(%rsp) movq nb112_p_facel(%rbp),%rsi movss (%rsi),%xmm0 movss %xmm0,nb112_facel(%rsp) ## assume we have at least one i particle - start directly movq nb112_iinr(%rsp),%rcx ## rcx = pointer into iinr[] movl (%rcx),%ebx ## ebx =ii movq nb112_charge(%rbp),%rdx movss (%rdx,%rbx,4),%xmm3 movss %xmm3,%xmm4 movss 4(%rdx,%rbx,4),%xmm5 movq nb112_p_facel(%rbp),%rsi movss (%rsi),%xmm0 movss nb112_facel(%rsp),%xmm6 mulss %xmm3,%xmm3 mulss %xmm5,%xmm4 mulss %xmm5,%xmm5 mulss %xmm6,%xmm3 mulss %xmm6,%xmm4 mulss %xmm6,%xmm5 shufps $0,%xmm3,%xmm3 shufps $0,%xmm4,%xmm4 shufps $0,%xmm5,%xmm5 movaps %xmm3,nb112_qqOO(%rsp) movaps %xmm4,nb112_qqOH(%rsp) movaps %xmm5,nb112_qqHH(%rsp) xorps %xmm0,%xmm0 movq nb112_type(%rbp),%rdx movl (%rdx,%rbx,4),%ecx shll %ecx movl %ecx,%edx movq nb112_p_ntype(%rbp),%rdi imull (%rdi),%ecx ## rcx = ntia = 2*ntype*type[ii0] addl %ecx,%edx movq nb112_vdwparam(%rbp),%rax movlps (%rax,%rdx,4),%xmm0 movaps %xmm0,%xmm1 shufps $0,%xmm0,%xmm0 shufps $85,%xmm1,%xmm1 ## 01010101 movaps %xmm0,nb112_c6(%rsp) movaps %xmm1,nb112_c12(%rsp) ## create constant floating-point factors on stack movl $0x3f000000,%eax ## half in IEEE (hex) movl %eax,nb112_half(%rsp) movss nb112_half(%rsp),%xmm1 shufps $0,%xmm1,%xmm1 ## splat to all elements movaps %xmm1,%xmm2 addps %xmm2,%xmm2 ## one movaps %xmm2,%xmm3 addps %xmm2,%xmm2 ## two addps %xmm2,%xmm3 ## three movaps %xmm3,%xmm4 addps %xmm4,%xmm4 ## six movaps %xmm4,%xmm5 addps %xmm5,%xmm5 ## twelve movaps %xmm1,nb112_half(%rsp) movaps %xmm3,nb112_three(%rsp) movaps %xmm4,nb112_six(%rsp) movaps %xmm5,nb112_twelve(%rsp)_nb_kernel112_x86_64_sse.nb112_threadloop: movq nb112_count(%rbp),%rsi ## pointer to sync counter movl (%rsi),%eax_nb_kernel112_x86_64_sse.nb112_spinlock: movl %eax,%ebx ## ebx=*count=nn0 addl $1,%ebx ## ebx=nn1=nn0+10 lock cmpxchgl %ebx,(%rsi) ## write nn1 to *counter, ## if it hasnt changed. ## or reread *counter to eax. pause ## -> better p4 performance jnz _nb_kernel112_x86_64_sse.nb112_spinlock ## if(nn1>nri) nn1=nri movl nb112_nri(%rsp),%ecx movl %ecx,%edx subl %ebx,%ecx cmovlel %edx,%ebx ## if(nn1>nri) nn1=nri ## Cleared the spinlock if we got here. ## eax contains nn0, ebx contains nn1. movl %eax,nb112_n(%rsp) movl %ebx,nb112_nn1(%rsp) subl %eax,%ebx ## calc number of outer lists movl %eax,%esi ## copy n to esi jg _nb_kernel112_x86_64_sse.nb112_outerstart jmp _nb_kernel112_x86_64_sse.nb112_end_nb_kernel112_x86_64_sse.nb112_outerstart: ## ebx contains number of outer iterations addl nb112_nouter(%rsp),%ebx movl %ebx,nb112_nouter(%rsp)_nb_kernel112_x86_64_sse.nb112_outer: movq nb112_shift(%rsp),%rax ## rax = pointer into shift[] movl (%rax,%rsi,4),%ebx ## rbx=shift[n] lea (%rbx,%rbx,2),%rbx ## rbx=3*is movl %ebx,nb112_is3(%rsp) ## store is3 movq nb112_shiftvec(%rsp),%rax ## rax = base of shiftvec[] movss (%rax,%rbx,4),%xmm0 movss 4(%rax,%rbx,4),%xmm1 movss 8(%rax,%rbx,4),%xmm2 movq nb112_iinr(%rsp),%rcx ## rcx = pointer into iinr[] movl (%rcx,%rsi,4),%ebx ## ebx =ii lea (%rbx,%rbx,2),%rbx ## rbx = 3*ii=ii3 movq nb112_pos(%rbp),%rax ## rax = base of pos[] movl %ebx,nb112_ii3(%rsp) movaps %xmm0,%xmm3 movaps %xmm1,%xmm4 movaps %xmm2,%xmm5 addss (%rax,%rbx,4),%xmm3 addss 4(%rax,%rbx,4),%xmm4 addss 8(%rax,%rbx,4),%xmm5 shufps $0,%xmm3,%xmm3 shufps $0,%xmm4,%xmm4 shufps $0,%xmm5,%xmm5 movaps %xmm3,nb112_ixO(%rsp) movaps %xmm4,nb112_iyO(%rsp) movaps %xmm5,nb112_izO(%rsp) movss %xmm0,%xmm3 movss %xmm1,%xmm4 movss %xmm2,%xmm5 addss 12(%rax,%rbx,4),%xmm0 addss 16(%rax,%rbx,4),%xmm1 addss 20(%rax,%rbx,4),%xmm2 addss 24(%rax,%rbx,4),%xmm3 addss 28(%rax,%rbx,4),%xmm4 addss 32(%rax,%rbx,4),%xmm5 shufps $0,%xmm0,%xmm0 shufps $0,%xmm1,%xmm1 shufps $0,%xmm2,%xmm2 shufps $0,%xmm3,%xmm3 shufps $0,%xmm4,%xmm4 shufps $0,%xmm5,%xmm5 movaps %xmm0,nb112_ixH1(%rsp) movaps %xmm1,nb112_iyH1(%rsp) movaps %xmm2,nb112_izH1(%rsp) movaps %xmm3,nb112_ixH2(%rsp) movaps %xmm4,nb112_iyH2(%rsp) movaps %xmm5,nb112_izH2(%rsp) ## clear vctot and i forces xorps %xmm4,%xmm4 movaps %xmm4,nb112_vctot(%rsp) movaps %xmm4,nb112_Vvdwtot(%rsp) movaps %xmm4,nb112_fixO(%rsp) movaps %xmm4,nb112_fiyO(%rsp) movaps %xmm4,nb112_fizO(%rsp) movaps %xmm4,nb112_fixH1(%rsp) movaps %xmm4,nb112_fiyH1(%rsp) movaps %xmm4,nb112_fizH1(%rsp) movaps %xmm4,nb112_fixH2(%rsp) movaps %xmm4,nb112_fiyH2(%rsp) movaps %xmm4,nb112_fizH2(%rsp) movq nb112_jindex(%rsp),%rax movl (%rax,%rsi,4),%ecx ## jindex[n] movl 4(%rax,%rsi,4),%edx ## jindex[n+1] subl %ecx,%edx ## number of innerloop atoms movq nb112_pos(%rbp),%rsi movq nb112_faction(%rbp),%rdi movq nb112_jjnr(%rsp),%rax shll $2,%ecx addq %rcx,%rax movq %rax,nb112_innerjjnr(%rsp) ## pointer to jjnr[nj0] movl %edx,%ecx subl $4,%edx addl nb112_ninner(%rsp),%ecx movl %ecx,nb112_ninner(%rsp) addl $0,%edx movl %edx,nb112_innerk(%rsp) ## number of innerloop atoms jge _nb_kernel112_x86_64_sse.nb112_unroll_loop jmp _nb_kernel112_x86_64_sse.nb112_single_check_nb_kernel112_x86_64_sse.nb112_unroll_loop: ## quad-unroll innerloop here movq nb112_innerjjnr(%rsp),%rdx ## pointer to jjnr[k] movl (%rdx),%eax movl 4(%rdx),%ebx movl 8(%rdx),%ecx movl 12(%rdx),%edx ## eax-edx=jnr1-4 addq $16,nb112_innerjjnr(%rsp) ## advance pointer (unrolled 4) movq nb112_pos(%rbp),%rsi ## base of pos[] lea (%rax,%rax,2),%rax ## replace jnr with j3 lea (%rbx,%rbx,2),%rbx lea (%rcx,%rcx,2),%rcx ## replace jnr with j3 lea (%rdx,%rdx,2),%rdx ## move j O coordinates to local temp variables movlps (%rsi,%rax,4),%xmm0 ## jxOa jyOa - - movlps (%rsi,%rcx,4),%xmm1 ## jxOc jyOc - - movhps (%rsi,%rbx,4),%xmm0 ## jxOa jyOa jxOb jyOb movhps (%rsi,%rdx,4),%xmm1 ## jxOc jyOc jxOd jyOd movss 8(%rsi,%rax,4),%xmm2 ## jzOa - - - movss 8(%rsi,%rcx,4),%xmm3 ## jzOc - - - movhps 8(%rsi,%rbx,4),%xmm2 ## jzOa - jzOb - movhps 8(%rsi,%rdx,4),%xmm3 ## jzOc - jzOd - movaps %xmm0,%xmm4 unpcklps %xmm1,%xmm0 ## jxOa jxOc jyOa jyOc unpckhps %xmm1,%xmm4 ## jxOb jxOd jyOb jyOd movaps %xmm0,%xmm1 unpcklps %xmm4,%xmm0 ## x unpckhps %xmm4,%xmm1 ## y shufps $136,%xmm3,%xmm2 ## 10001000 => jzOa jzOb jzOc jzOd ## xmm0 = Ox ## xmm1 = Oy ## xmm2 = Oz movaps %xmm0,%xmm3 movaps %xmm1,%xmm4 movaps %xmm2,%xmm5 movaps %xmm0,%xmm6 movaps %xmm1,%xmm7 movaps %xmm2,%xmm8⌨️ 快捷键说明
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