nb_kernel304_x86_64_sse.s
来自「最著名最快的分子模拟软件」· S 代码 · 共 2,242 行 · 第 1/5 页
S
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#### $Id: nb_kernel304_x86_64_sse.s,v 1.4.2.3 2006/09/22 08:32:50 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_kernel304_x86_64_sse.globl _nb_kernel304_x86_64_ssenb_kernel304_x86_64_sse: _nb_kernel304_x86_64_sse: ## Room for return address and rbp (16 bytes).set nb304_fshift, 16.set nb304_gid, 24.set nb304_pos, 32.set nb304_faction, 40.set nb304_charge, 48.set nb304_p_facel, 56.set nb304_argkrf, 64.set nb304_argcrf, 72.set nb304_Vc, 80.set nb304_type, 88.set nb304_p_ntype, 96.set nb304_vdwparam, 104.set nb304_Vvdw, 112.set nb304_p_tabscale, 120.set nb304_VFtab, 128.set nb304_invsqrta, 136.set nb304_dvda, 144.set nb304_p_gbtabscale, 152.set nb304_GBtab, 160.set nb304_p_nthreads, 168.set nb304_count, 176.set nb304_mtx, 184.set nb304_outeriter, 192.set nb304_inneriter, 200.set nb304_work, 208 ## stack offsets for local variables ## bottom of stack is cache-aligned for sse use .set nb304_ixH1, 0.set nb304_iyH1, 16.set nb304_izH1, 32.set nb304_ixH2, 48.set nb304_iyH2, 64.set nb304_izH2, 80.set nb304_ixM, 96.set nb304_iyM, 112.set nb304_izM, 128.set nb304_jxH1, 144.set nb304_jyH1, 160.set nb304_jzH1, 176.set nb304_jxH2, 192.set nb304_jyH2, 208.set nb304_jzH2, 224.set nb304_jxM, 240.set nb304_jyM, 256.set nb304_jzM, 272.set nb304_dxH1H1, 288.set nb304_dyH1H1, 304.set nb304_dzH1H1, 320.set nb304_dxH1H2, 336.set nb304_dyH1H2, 352.set nb304_dzH1H2, 368.set nb304_dxH1M, 384.set nb304_dyH1M, 400.set nb304_dzH1M, 416.set nb304_dxH2H1, 432.set nb304_dyH2H1, 448.set nb304_dzH2H1, 464.set nb304_dxH2H2, 480.set nb304_dyH2H2, 496.set nb304_dzH2H2, 512.set nb304_dxH2M, 528.set nb304_dyH2M, 544.set nb304_dzH2M, 560.set nb304_dxMH1, 576.set nb304_dyMH1, 592.set nb304_dzMH1, 608.set nb304_dxMH2, 624.set nb304_dyMH2, 640.set nb304_dzMH2, 656.set nb304_dxMM, 672.set nb304_dyMM, 688.set nb304_dzMM, 704.set nb304_qqHH, 720.set nb304_qqMH, 736.set nb304_qqMM, 752.set nb304_two, 768.set nb304_tsc, 784.set nb304_vctot, 800.set nb304_fixH1, 816.set nb304_fiyH1, 832.set nb304_fizH1, 848.set nb304_fixH2, 864.set nb304_fiyH2, 880.set nb304_fizH2, 896.set nb304_fixM, 912.set nb304_fiyM, 928.set nb304_fizM, 944.set nb304_epsH1, 960.set nb304_epsH2, 976.set nb304_epsM, 992.set nb304_fjxH2, 1008.set nb304_fjyH2, 1024.set nb304_fjzH2, 1040.set nb304_fjxM, 1056.set nb304_fjyM, 1072.set nb304_fjzM, 1088.set nb304_half, 1104.set nb304_three, 1120.set nb304_rsqH1H1, 1136.set nb304_rsqH1H2, 1152.set nb304_rsqH1M, 1168.set nb304_rsqH2H1, 1184.set nb304_rsqH2H2, 1200.set nb304_rsqH2M, 1216.set nb304_rsqMH1, 1232.set nb304_rsqMH2, 1248.set nb304_rsqMM, 1264.set nb304_rinvH1H1, 1280.set nb304_rinvH1H2, 1296.set nb304_rinvH1M, 1312.set nb304_rinvH2H1, 1328.set nb304_rinvH2H2, 1344.set nb304_rinvH2M, 1360.set nb304_rinvMH1, 1376.set nb304_rinvMH2, 1392.set nb304_rinvMM, 1408.set nb304_is3, 1424.set nb304_ii3, 1428.set nb304_nri, 1432.set nb304_iinr, 1440.set nb304_jindex, 1448.set nb304_jjnr, 1456.set nb304_shift, 1464.set nb304_shiftvec, 1472.set nb304_facel, 1480.set nb304_innerjjnr, 1488.set nb304_innerk, 1496.set nb304_n, 1500.set nb304_nn1, 1504.set nb304_nouter, 1508.set nb304_ninner, 1512 push %rbp movq %rsp,%rbp push %rbx emms push %r12 push %r13 push %r14 push %r15 subq $1528,%rsp ## local variable stack space (n*16+8) ## zero 32-bit iteration counters movl $0,%eax movl %eax,nb304_nouter(%rsp) movl %eax,nb304_ninner(%rsp) movl (%rdi),%edi movl %edi,nb304_nri(%rsp) movq %rsi,nb304_iinr(%rsp) movq %rdx,nb304_jindex(%rsp) movq %rcx,nb304_jjnr(%rsp) movq %r8,nb304_shift(%rsp) movq %r9,nb304_shiftvec(%rsp) movq nb304_p_facel(%rbp),%rsi movss (%rsi),%xmm0 movss %xmm0,nb304_facel(%rsp) movq nb304_p_tabscale(%rbp),%rax movss (%rax),%xmm3 shufps $0,%xmm3,%xmm3 movaps %xmm3,nb304_tsc(%rsp) ## create constant floating-point factors on stack movl $0x3f000000,%eax ## half in IEEE (hex) movl %eax,nb304_half(%rsp) movss nb304_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 %xmm1,nb304_half(%rsp) movaps %xmm2,nb304_two(%rsp) movaps %xmm3,nb304_three(%rsp) ## assume we have at least one i particle - start directly movq nb304_iinr(%rsp),%rcx ## rcx = pointer into iinr[] movl (%rcx),%ebx ## ebx =ii movq nb304_charge(%rbp),%rdx movss 4(%rdx,%rbx,4),%xmm3 movss %xmm3,%xmm4 movss 12(%rdx,%rbx,4),%xmm5 movq nb304_p_facel(%rbp),%rsi movss (%rsi),%xmm0 movss nb304_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,nb304_qqHH(%rsp) movaps %xmm4,nb304_qqMH(%rsp) movaps %xmm5,nb304_qqMM(%rsp)_nb_kernel304_x86_64_sse.nb304_threadloop: movq nb304_count(%rbp),%rsi ## pointer to sync counter movl (%rsi),%eax_nb_kernel304_x86_64_sse.nb304_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_kernel304_x86_64_sse.nb304_spinlock ## if(nn1>nri) nn1=nri movl nb304_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,nb304_n(%rsp) movl %ebx,nb304_nn1(%rsp) subl %eax,%ebx ## calc number of outer lists movl %eax,%esi ## copy n to esi jg _nb_kernel304_x86_64_sse.nb304_outerstart jmp _nb_kernel304_x86_64_sse.nb304_end_nb_kernel304_x86_64_sse.nb304_outerstart: ## ebx contains number of outer iterations addl nb304_nouter(%rsp),%ebx movl %ebx,nb304_nouter(%rsp)_nb_kernel304_x86_64_sse.nb304_outer: movq nb304_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,nb304_is3(%rsp) ## store is3 movq nb304_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 nb304_iinr(%rsp),%rcx ## rcx = pointer into iinr[] movl (%rcx,%rsi,4),%ebx ## ebx =ii lea (%rbx,%rbx,2),%rbx ## rbx = 3*ii=ii3 movq nb304_pos(%rbp),%rax ## rax = base of pos[] movl %ebx,nb304_ii3(%rsp) movaps %xmm0,%xmm3 movaps %xmm1,%xmm4 movaps %xmm2,%xmm5 addss 12(%rax,%rbx,4),%xmm3 addss 16(%rax,%rbx,4),%xmm4 addss 20(%rax,%rbx,4),%xmm5 shufps $0,%xmm3,%xmm3 shufps $0,%xmm4,%xmm4 shufps $0,%xmm5,%xmm5 movaps %xmm3,nb304_ixH1(%rsp) movaps %xmm4,nb304_iyH1(%rsp) movaps %xmm5,nb304_izH1(%rsp) movss %xmm0,%xmm3 movss %xmm1,%xmm4 movss %xmm2,%xmm5 addss 24(%rax,%rbx,4),%xmm0 addss 28(%rax,%rbx,4),%xmm1 addss 32(%rax,%rbx,4),%xmm2 addss 36(%rax,%rbx,4),%xmm3 addss 40(%rax,%rbx,4),%xmm4 addss 44(%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,nb304_ixH2(%rsp) movaps %xmm1,nb304_iyH2(%rsp) movaps %xmm2,nb304_izH2(%rsp) movaps %xmm3,nb304_ixM(%rsp) movaps %xmm4,nb304_iyM(%rsp) movaps %xmm5,nb304_izM(%rsp) ## clear vctot and i forces xorps %xmm4,%xmm4 movaps %xmm4,nb304_vctot(%rsp) movaps %xmm4,nb304_fixH1(%rsp) movaps %xmm4,nb304_fiyH1(%rsp) movaps %xmm4,nb304_fizH1(%rsp) movaps %xmm4,nb304_fixH2(%rsp) movaps %xmm4,nb304_fiyH2(%rsp) movaps %xmm4,nb304_fizH2(%rsp) movaps %xmm4,nb304_fixM(%rsp) movaps %xmm4,nb304_fiyM(%rsp) movaps %xmm4,nb304_fizM(%rsp) movq nb304_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 nb304_pos(%rbp),%rsi movq nb304_faction(%rbp),%rdi movq nb304_jjnr(%rsp),%rax shll $2,%ecx addq %rcx,%rax movq %rax,nb304_innerjjnr(%rsp) ## pointer to jjnr[nj0] movl %edx,%ecx subl $4,%edx addl nb304_ninner(%rsp),%ecx movl %ecx,nb304_ninner(%rsp) addl $0,%edx movl %edx,nb304_innerk(%rsp) ## number of innerloop atoms jge _nb_kernel304_x86_64_sse.nb304_unroll_loop jmp _nb_kernel304_x86_64_sse.nb304_single_check_nb_kernel304_x86_64_sse.nb304_unroll_loop: ## quad-unroll innerloop here movq nb304_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,nb304_innerjjnr(%rsp) ## advance pointer (unrolled 4) movq nb304_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 H1 coordinates to local temp variables movlps 12(%rsi,%rax,4),%xmm0 ## jxH1a jyH1a - - movlps 12(%rsi,%rcx,4),%xmm1 ## jxH1c jyH1c - - movhps 12(%rsi,%rbx,4),%xmm0 ## jxH1a jyH1a jxH1b jyH1b movhps 12(%rsi,%rdx,4),%xmm1 ## jxH1c jyH1c jxH1d jyH1d movss 20(%rsi,%rax,4),%xmm2 ## jzH1a - - - movss 20(%rsi,%rcx,4),%xmm3 ## jzH1c - - - movhps 20(%rsi,%rbx,4),%xmm2 ## jzH1a - jzH1b - movhps 20(%rsi,%rdx,4),%xmm3 ## jzH1c - jzH1d - movd %eax,%mm0 ## save j3 in mm0-mm3 movd %ebx,%mm1 movd %ecx,%mm2 movd %edx,%mm3 movaps %xmm0,%xmm4 unpcklps %xmm1,%xmm0 ## jxH1a jxH1c jyH1a jyH1c unpckhps %xmm1,%xmm4 ## jxH1b jxH1d jyH1b jyH1d movaps %xmm0,%xmm1 unpcklps %xmm4,%xmm0 ## x unpckhps %xmm4,%xmm1 ## y shufps $136,%xmm3,%xmm2 ## 10001000 => jzH1a jzH1b jzH1c jzH1d ## xmm0 = H1x ## xmm1 = H1y ## xmm2 = H1z movaps %xmm0,%xmm3 movaps %xmm1,%xmm4 movaps %xmm2,%xmm5 movaps %xmm0,%xmm6 movaps %xmm1,%xmm7 movaps %xmm2,%xmm8 subps nb304_ixH1(%rsp),%xmm0 subps nb304_iyH1(%rsp),%xmm1 subps nb304_izH1(%rsp),%xmm2 subps nb304_ixH2(%rsp),%xmm3 subps nb304_iyH2(%rsp),%xmm4 subps nb304_izH2(%rsp),%xmm5 subps nb304_ixM(%rsp),%xmm6 subps nb304_iyM(%rsp),%xmm7 subps nb304_izM(%rsp),%xmm8 movaps %xmm0,nb304_dxH1H1(%rsp) movaps %xmm1,nb304_dyH1H1(%rsp) movaps %xmm2,nb304_dzH1H1(%rsp) mulps %xmm0,%xmm0 mulps %xmm1,%xmm1 mulps %xmm2,%xmm2 movaps %xmm3,nb304_dxH2H1(%rsp) movaps %xmm4,nb304_dyH2H1(%rsp) movaps %xmm5,nb304_dzH2H1(%rsp) mulps %xmm3,%xmm3 mulps %xmm4,%xmm4 mulps %xmm5,%xmm5 movaps %xmm6,nb304_dxMH1(%rsp) movaps %xmm7,nb304_dyMH1(%rsp) movaps %xmm8,nb304_dzMH1(%rsp) mulps %xmm6,%xmm6 mulps %xmm7,%xmm7 mulps %xmm8,%xmm8 addps %xmm1,%xmm0 addps %xmm2,%xmm0 addps %xmm4,%xmm3 addps %xmm5,%xmm3 addps %xmm7,%xmm6 addps %xmm8,%xmm6 ## start doing invsqrt for jH1 atoms rsqrtps %xmm0,%xmm1 rsqrtps %xmm3,%xmm4 rsqrtps %xmm6,%xmm7 movaps %xmm1,%xmm2 movaps %xmm4,%xmm5 movaps %xmm7,%xmm8⌨️ 快捷键说明
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