nb_kernel232_ia32_sse.s
来自「最著名最快的分子模拟软件」· S 代码 · 共 2,002 行 · 第 1/5 页
S
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unpcklps %xmm4,%xmm3 unpckhps %xmm4,%xmm5 addps %xmm3,%xmm0 addps %xmm5,%xmm1 movlps %xmm0,(%esi,%eax,4) movlps %xmm1,12(%esi,%eax,4) movhps %xmm1,24(%esi,%eax,4) decl nb232_innerk(%esp) jz _nb_kernel232_ia32_sse.nb232_updateouterdata jmp _nb_kernel232_ia32_sse.nb232_single_loop_nb_kernel232_ia32_sse.nb232_updateouterdata: movl nb232_ii3(%esp),%ecx movl nb232_faction(%ebp),%edi movl nb232_fshift(%ebp),%esi movl nb232_is3(%esp),%edx ## accumulate Oi forces in xmm0, xmm1, xmm2 movaps nb232_fixO(%esp),%xmm0 movaps nb232_fiyO(%esp),%xmm1 movaps nb232_fizO(%esp),%xmm2 movhlps %xmm0,%xmm3 movhlps %xmm1,%xmm4 movhlps %xmm2,%xmm5 addps %xmm3,%xmm0 addps %xmm4,%xmm1 addps %xmm5,%xmm2 ## sum is in 1/2 in xmm0-xmm2 movaps %xmm0,%xmm3 movaps %xmm1,%xmm4 movaps %xmm2,%xmm5 shufps $1,%xmm3,%xmm3 shufps $1,%xmm4,%xmm4 shufps $1,%xmm5,%xmm5 addss %xmm3,%xmm0 addss %xmm4,%xmm1 addss %xmm5,%xmm2 ## xmm0-xmm2 has single force in pos0 ## increment i force movss (%edi,%ecx,4),%xmm3 movss 4(%edi,%ecx,4),%xmm4 movss 8(%edi,%ecx,4),%xmm5 addss %xmm0,%xmm3 addss %xmm1,%xmm4 addss %xmm2,%xmm5 movss %xmm3,(%edi,%ecx,4) movss %xmm4,4(%edi,%ecx,4) movss %xmm5,8(%edi,%ecx,4) ## accumulate force in xmm6/xmm7 for fshift movaps %xmm0,%xmm6 movss %xmm2,%xmm7 movlhps %xmm1,%xmm6 shufps $8,%xmm6,%xmm6 ## constant 00001000 ## accumulate H1i forces in xmm0, xmm1, xmm2 movaps nb232_fixH1(%esp),%xmm0 movaps nb232_fiyH1(%esp),%xmm1 movaps nb232_fizH1(%esp),%xmm2 movhlps %xmm0,%xmm3 movhlps %xmm1,%xmm4 movhlps %xmm2,%xmm5 addps %xmm3,%xmm0 addps %xmm4,%xmm1 addps %xmm5,%xmm2 ## sum is in 1/2 in xmm0-xmm2 movaps %xmm0,%xmm3 movaps %xmm1,%xmm4 movaps %xmm2,%xmm5 shufps $1,%xmm3,%xmm3 shufps $1,%xmm4,%xmm4 shufps $1,%xmm5,%xmm5 addss %xmm3,%xmm0 addss %xmm4,%xmm1 addss %xmm5,%xmm2 ## xmm0-xmm2 has single force in pos0 ## increment i force movss 12(%edi,%ecx,4),%xmm3 movss 16(%edi,%ecx,4),%xmm4 movss 20(%edi,%ecx,4),%xmm5 addss %xmm0,%xmm3 addss %xmm1,%xmm4 addss %xmm2,%xmm5 movss %xmm3,12(%edi,%ecx,4) movss %xmm4,16(%edi,%ecx,4) movss %xmm5,20(%edi,%ecx,4) ## accumulate force in xmm6/xmm7 for fshift addss %xmm2,%xmm7 movlhps %xmm1,%xmm0 shufps $8,%xmm0,%xmm0 ## constant 00001000 addps %xmm0,%xmm6 ## accumulate H2i forces in xmm0, xmm1, xmm2 movaps nb232_fixH2(%esp),%xmm0 movaps nb232_fiyH2(%esp),%xmm1 movaps nb232_fizH2(%esp),%xmm2 movhlps %xmm0,%xmm3 movhlps %xmm1,%xmm4 movhlps %xmm2,%xmm5 addps %xmm3,%xmm0 addps %xmm4,%xmm1 addps %xmm5,%xmm2 ## sum is in 1/2 in xmm0-xmm2 movaps %xmm0,%xmm3 movaps %xmm1,%xmm4 movaps %xmm2,%xmm5 shufps $1,%xmm3,%xmm3 shufps $1,%xmm4,%xmm4 shufps $1,%xmm5,%xmm5 addss %xmm3,%xmm0 addss %xmm4,%xmm1 addss %xmm5,%xmm2 ## xmm0-xmm2 has single force in pos0 ## increment i force movss 24(%edi,%ecx,4),%xmm3 movss 28(%edi,%ecx,4),%xmm4 movss 32(%edi,%ecx,4),%xmm5 addss %xmm0,%xmm3 addss %xmm1,%xmm4 addss %xmm2,%xmm5 movss %xmm3,24(%edi,%ecx,4) movss %xmm4,28(%edi,%ecx,4) movss %xmm5,32(%edi,%ecx,4) ## accumulate force in xmm6/xmm7 for fshift addss %xmm2,%xmm7 movlhps %xmm1,%xmm0 shufps $8,%xmm0,%xmm0 ## constant 00001000 addps %xmm0,%xmm6 ## increment fshift force movlps (%esi,%edx,4),%xmm3 movss 8(%esi,%edx,4),%xmm4 addps %xmm6,%xmm3 addss %xmm7,%xmm4 movlps %xmm3,(%esi,%edx,4) movss %xmm4,8(%esi,%edx,4) ## get n from stack movl nb232_n(%esp),%esi ## get group index for i particle movl nb232_gid(%ebp),%edx ## base of gid[] movl (%edx,%esi,4),%edx ## ggid=gid[n] ## accumulate total potential energy and update it movaps nb232_vctot(%esp),%xmm7 ## accumulate movhlps %xmm7,%xmm6 addps %xmm6,%xmm7 ## pos 0-1 in xmm7 have the sum now movaps %xmm7,%xmm6 shufps $1,%xmm6,%xmm6 addss %xmm6,%xmm7 ## add earlier value from mem movl nb232_Vc(%ebp),%eax addss (%eax,%edx,4),%xmm7 ## move back to mem movss %xmm7,(%eax,%edx,4) ## accumulate total lj energy and update it movaps nb232_Vvdwtot(%esp),%xmm7 ## accumulate movhlps %xmm7,%xmm6 addps %xmm6,%xmm7 ## pos 0-1 in xmm7 have the sum now movaps %xmm7,%xmm6 shufps $1,%xmm6,%xmm6 addss %xmm6,%xmm7 ## add earlier value from mem movl nb232_Vvdw(%ebp),%eax addss (%eax,%edx,4),%xmm7 ## move back to mem movss %xmm7,(%eax,%edx,4) ## finish if last movl nb232_nn1(%esp),%ecx ## esi already loaded with n incl %esi subl %esi,%ecx jz _nb_kernel232_ia32_sse.nb232_outerend ## not last, iterate outer loop once more! movl %esi,nb232_n(%esp) jmp _nb_kernel232_ia32_sse.nb232_outer_nb_kernel232_ia32_sse.nb232_outerend: ## check if more outer neighborlists remain movl nb232_nri(%esp),%ecx ## esi already loaded with n above subl %esi,%ecx jz _nb_kernel232_ia32_sse.nb232_end ## non-zero, do one more workunit jmp _nb_kernel232_ia32_sse.nb232_threadloop_nb_kernel232_ia32_sse.nb232_end: emms movl nb232_nouter(%esp),%eax movl nb232_ninner(%esp),%ebx movl nb232_outeriter(%ebp),%ecx movl nb232_inneriter(%ebp),%edx movl %eax,(%ecx) movl %ebx,(%edx) movl nb232_salign(%esp),%eax addl %eax,%esp addl $1560,%esp popl %edi popl %esi popl %edx popl %ecx popl %ebx popl %eax leave ret.globl nb_kernel232nf_ia32_sse.globl _nb_kernel232nf_ia32_ssenb_kernel232nf_ia32_sse: _nb_kernel232nf_ia32_sse: .set nb232nf_p_nri, 8.set nb232nf_iinr, 12.set nb232nf_jindex, 16.set nb232nf_jjnr, 20.set nb232nf_shift, 24.set nb232nf_shiftvec, 28.set nb232nf_fshift, 32.set nb232nf_gid, 36.set nb232nf_pos, 40.set nb232nf_faction, 44.set nb232nf_charge, 48.set nb232nf_p_facel, 52.set nb232nf_argkrf, 56.set nb232nf_argcrf, 60.set nb232nf_Vc, 64.set nb232nf_type, 68.set nb232nf_p_ntype, 72.set nb232nf_vdwparam, 76.set nb232nf_Vvdw, 80.set nb232nf_p_tabscale, 84.set nb232nf_VFtab, 88.set nb232nf_invsqrta, 92.set nb232nf_dvda, 96.set nb232nf_p_gbtabscale, 100.set nb232nf_GBtab, 104.set nb232nf_p_nthreads, 108.set nb232nf_count, 112.set nb232nf_mtx, 116.set nb232nf_outeriter, 120.set nb232nf_inneriter, 124.set nb232nf_work, 128 ## stack offsets for local variables ## bottom of stack is cache-aligned for sse use .set nb232nf_ixO, 0.set nb232nf_iyO, 16.set nb232nf_izO, 32.set nb232nf_ixH1, 48.set nb232nf_iyH1, 64.set nb232nf_izH1, 80.set nb232nf_ixH2, 96.set nb232nf_iyH2, 112.set nb232nf_izH2, 128.set nb232nf_jxO, 144.set nb232nf_jyO, 160.set nb232nf_jzO, 176.set nb232nf_jxH1, 192.set nb232nf_jyH1, 208.set nb232nf_jzH1, 224.set nb232nf_jxH2, 240.set nb232nf_jyH2, 256.set nb232nf_jzH2, 272.set nb232nf_qqOO, 288.set nb232nf_qqOH, 304.set nb232nf_qqHH, 320.set nb232nf_c6, 336.set nb232nf_c12, 352.set nb232nf_tsc, 368.set nb232nf_vctot, 384.set nb232nf_Vvdwtot, 400.set nb232nf_half, 416.set nb232nf_three, 432.set nb232nf_rsqOO, 448.set nb232nf_rsqOH1, 464.set nb232nf_rsqOH2, 480.set nb232nf_rsqH1O, 496.set nb232nf_rsqH1H1, 512.set nb232nf_rsqH1H2, 528.set nb232nf_rsqH2O, 544.set nb232nf_rsqH2H1, 560.set nb232nf_rsqH2H2, 576.set nb232nf_rinvOO, 592.set nb232nf_rinvOH1, 608.set nb232nf_rinvOH2, 624.set nb232nf_rinvH1O, 640.set nb232nf_rinvH1H1, 656.set nb232nf_rinvH1H2, 672.set nb232nf_rinvH2O, 688.set nb232nf_rinvH2H1, 704.set nb232nf_rinvH2H2, 720.set nb232nf_krf, 736.set nb232nf_crf, 752.set nb232nf_is3, 768.set nb232nf_ii3, 772.set nb232nf_innerjjnr, 776.set nb232nf_innerk, 780.set nb232nf_n, 784.set nb232nf_nn1, 788.set nb232nf_nri, 792.set nb232nf_nouter, 796.set nb232nf_ninner, 800.set nb232nf_salign, 804 pushl %ebp movl %esp,%ebp pushl %eax pushl %ebx pushl %ecx pushl %edx pushl %esi pushl %edi subl $808,%esp ## local stack space movl %esp,%eax andl $0xf,%eax subl %eax,%esp movl %eax,nb232nf_salign(%esp) emms ## Move args passed by reference to stack movl nb232nf_p_nri(%ebp),%ecx movl (%ecx),%ecx movl %ecx,nb232nf_nri(%esp) ## zero iteration counters movl $0,%eax movl %eax,nb232nf_nouter(%esp) movl %eax,nb232nf_ninner(%esp) movl nb232nf_p_tabscale(%ebp),%eax movss (%eax),%xmm3 shufps $0,%xmm3,%xmm3 movaps %xmm3,nb232nf_tsc(%esp) movl nb232nf_argkrf(%ebp),%esi movl nb232nf_argcrf(%ebp),%edi movss (%esi),%xmm5 movss (%edi),%xmm6 shufps $0,%xmm5,%xmm5 shufps $0,%xmm6,%xmm6 movaps %xmm5,nb232nf_krf(%esp) movaps %xmm6,nb232nf_crf(%esp) ## assume we have at least one i particle - start directly movl nb232nf_iinr(%ebp),%ecx ## ecx = pointer into iinr[] movl (%ecx),%ebx ## ebx =ii movl nb232nf_charge(%ebp),%edx movss (%edx,%ebx,4),%xmm3 movss %xmm3,%xmm4 movss 4(%edx,%ebx,4),%xmm5 movl nb232nf_p_facel(%ebp),%esi movss (%esi),%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,nb232nf_qqOO(%esp) movaps %xmm4,nb232nf_qqOH(%esp) movaps %xmm5,nb232nf_qqHH(%esp) xorps %xmm0,%xmm0 movl nb232nf_type(%ebp),%edx movl (%edx,%ebx,4),%ecx shll %ecx movl %ecx,%edx movl nb232nf_p_ntype(%ebp),%edi imull (%edi),%ecx ## ecx = ntia = 2*ntype*type[ii0] addl %ecx,%edx movl nb232nf_vdwparam(%ebp),%eax movlps (%eax,%edx,4),%xmm0 movaps %xmm0,%xmm1 shufps $0,%xmm0,%xmm0 shufps $85,%xmm1,%xmm1 ## constant 01010101 movaps %xmm0,nb232nf_c6(%esp) movaps %xmm1,nb232nf_c12(%esp) ## create constant floating-point factors on stack
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