nb_kernel214_x86_64_sse.s
来自「最著名最快的分子模拟软件」· S 代码 · 共 2,140 行 · 第 1/5 页
S
2,140 行
movss 12(%rdi,%rcx,4),%xmm3 movss 16(%rdi,%rcx,4),%xmm4 movss 20(%rdi,%rcx,4),%xmm5 subss %xmm0,%xmm3 subss %xmm1,%xmm4 subss %xmm2,%xmm5 movss %xmm3,12(%rdi,%rcx,4) movss %xmm4,16(%rdi,%rcx,4) movss %xmm5,20(%rdi,%rcx,4) ## accumulate force in xmm6/xmm7 for fshift addss %xmm2,%xmm7 movlhps %xmm1,%xmm0 shufps $8,%xmm0,%xmm0 ## 00001000 addps %xmm0,%xmm6 ## accumulate H2i forces in xmm0, xmm1, xmm2 movaps nb214_fixH2(%rsp),%xmm0 movaps nb214_fiyH2(%rsp),%xmm1 movaps nb214_fizH2(%rsp),%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(%rdi,%rcx,4),%xmm3 movss 28(%rdi,%rcx,4),%xmm4 movss 32(%rdi,%rcx,4),%xmm5 subss %xmm0,%xmm3 subss %xmm1,%xmm4 subss %xmm2,%xmm5 movss %xmm3,24(%rdi,%rcx,4) movss %xmm4,28(%rdi,%rcx,4) movss %xmm5,32(%rdi,%rcx,4) ## accumulate force in xmm6/xmm7 for fshift addss %xmm2,%xmm7 movlhps %xmm1,%xmm0 shufps $8,%xmm0,%xmm0 ## 00001000 addps %xmm0,%xmm6 ## accumulate Mi forces in xmm0, xmm1, xmm2 movaps nb214_fixM(%rsp),%xmm0 movaps nb214_fiyM(%rsp),%xmm1 movaps nb214_fizM(%rsp),%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 36(%rdi,%rcx,4),%xmm3 movss 40(%rdi,%rcx,4),%xmm4 movss 44(%rdi,%rcx,4),%xmm5 subss %xmm0,%xmm3 subss %xmm1,%xmm4 subss %xmm2,%xmm5 movss %xmm3,36(%rdi,%rcx,4) movss %xmm4,40(%rdi,%rcx,4) movss %xmm5,44(%rdi,%rcx,4) ## accumulate force in xmm6/xmm7 for fshift addss %xmm2,%xmm7 movlhps %xmm1,%xmm0 shufps $8,%xmm0,%xmm0 ## 00001000 addps %xmm0,%xmm6 ## increment fshift force movlps (%rsi,%rdx,4),%xmm3 movss 8(%rsi,%rdx,4),%xmm4 subps %xmm6,%xmm3 subss %xmm7,%xmm4 movlps %xmm3,(%rsi,%rdx,4) movss %xmm4,8(%rsi,%rdx,4) ## get n from stack movl nb214_n(%rsp),%esi ## get group index for i particle movq nb214_gid(%rbp),%rdx ## base of gid[] movl (%rdx,%rsi,4),%edx ## ggid=gid[n] ## accumulate total potential energy and update it movaps nb214_vctot(%rsp),%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 movq nb214_Vc(%rbp),%rax addss (%rax,%rdx,4),%xmm7 ## move back to mem movss %xmm7,(%rax,%rdx,4) ## accumulate total lj energy and update it movaps nb214_Vvdwtot(%rsp),%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 movq nb214_Vvdw(%rbp),%rax addss (%rax,%rdx,4),%xmm7 ## move back to mem movss %xmm7,(%rax,%rdx,4) ## finish if last movl nb214_nn1(%rsp),%ecx ## esi already loaded with n incl %esi subl %esi,%ecx jz _nb_kernel214_x86_64_sse.nb214_outerend ## not last, iterate outer loop once more! movl %esi,nb214_n(%rsp) jmp _nb_kernel214_x86_64_sse.nb214_outer_nb_kernel214_x86_64_sse.nb214_outerend: ## check if more outer neighborlists remain movl nb214_nri(%rsp),%ecx ## esi already loaded with n above subl %esi,%ecx jz _nb_kernel214_x86_64_sse.nb214_end ## non-zero, do one more workunit jmp _nb_kernel214_x86_64_sse.nb214_threadloop_nb_kernel214_x86_64_sse.nb214_end: movl nb214_nouter(%rsp),%eax movl nb214_ninner(%rsp),%ebx movq nb214_outeriter(%rbp),%rcx movq nb214_inneriter(%rbp),%rdx movl %eax,(%rcx) movl %ebx,(%rdx) addq $1912,%rsp emms pop %r15 pop %r14 pop %r13 pop %r12 pop %rbx pop %rbp ret.globl nb_kernel214nf_x86_64_sse.globl _nb_kernel214nf_x86_64_ssenb_kernel214nf_x86_64_sse: _nb_kernel214nf_x86_64_sse: ## Room for return address and rbp (16 bytes).set nb214nf_fshift, 16.set nb214nf_gid, 24.set nb214nf_pos, 32.set nb214nf_faction, 40.set nb214nf_charge, 48.set nb214nf_p_facel, 56.set nb214nf_argkrf, 64.set nb214nf_argcrf, 72.set nb214nf_Vc, 80.set nb214nf_type, 88.set nb214nf_p_ntype, 96.set nb214nf_vdwparam, 104.set nb214nf_Vvdw, 112.set nb214nf_p_tabscale, 120.set nb214nf_VFtab, 128.set nb214nf_invsqrta, 136.set nb214nf_dvda, 144.set nb214nf_p_gbtabscale, 152.set nb214nf_GBtab, 160.set nb214nf_p_nthreads, 168.set nb214nf_count, 176.set nb214nf_mtx, 184.set nb214nf_outeriter, 192.set nb214nf_inneriter, 200.set nb214nf_work, 208 ## stack offsets for local variables ## bottom of stack is cache-aligned for sse use .set nb214nf_ixO, 0.set nb214nf_iyO, 16.set nb214nf_izO, 32.set nb214nf_ixH1, 48.set nb214nf_iyH1, 64.set nb214nf_izH1, 80.set nb214nf_ixH2, 96.set nb214nf_iyH2, 112.set nb214nf_izH2, 128.set nb214nf_ixM, 144.set nb214nf_iyM, 160.set nb214nf_izM, 176.set nb214nf_jxO, 192.set nb214nf_jyO, 208.set nb214nf_jzO, 224.set nb214nf_jxH1, 240.set nb214nf_jyH1, 256.set nb214nf_jzH1, 272.set nb214nf_jxH2, 288.set nb214nf_jyH2, 304.set nb214nf_jzH2, 320.set nb214nf_jxM, 336.set nb214nf_jyM, 352.set nb214nf_jzM, 368.set nb214nf_qqMM, 384.set nb214nf_qqMH, 400.set nb214nf_qqHH, 416.set nb214nf_two, 432.set nb214nf_c6, 448.set nb214nf_c12, 464.set nb214nf_vctot, 480.set nb214nf_Vvdwtot, 496.set nb214nf_half, 512.set nb214nf_three, 528.set nb214nf_rsqOO, 544.set nb214nf_rsqH1H1, 560.set nb214nf_rsqH1H2, 576.set nb214nf_rsqH1M, 592.set nb214nf_rsqH2H1, 608.set nb214nf_rsqH2H2, 624.set nb214nf_rsqH2M, 640.set nb214nf_rsqMH1, 656.set nb214nf_rsqMH2, 672.set nb214nf_rsqMM, 688.set nb214nf_rinvsqOO, 704.set nb214nf_rinvH1H1, 720.set nb214nf_rinvH1H2, 736.set nb214nf_rinvH1M, 752.set nb214nf_rinvH2H1, 768.set nb214nf_rinvH2H2, 784.set nb214nf_rinvH2M, 800.set nb214nf_rinvMH1, 816.set nb214nf_rinvMH2, 832.set nb214nf_rinvMM, 848.set nb214nf_krf, 864.set nb214nf_crf, 880.set nb214nf_is3, 896.set nb214nf_ii3, 900.set nb214nf_innerjjnr, 904.set nb214nf_nri, 912.set nb214nf_iinr, 920.set nb214nf_jindex, 928.set nb214nf_jjnr, 936.set nb214nf_shift, 944.set nb214nf_shiftvec, 952.set nb214nf_facel, 960.set nb214nf_innerk, 968.set nb214nf_n, 972.set nb214nf_nn1, 976.set nb214nf_nouter, 980.set nb214nf_ninner, 984 push %rbp movq %rsp,%rbp push %rbx emms push %r12 push %r13 push %r14 push %r15 subq $1000,%rsp ## local variable stack space (n*16+8) ## zero 32-bit iteration counters movl $0,%eax movl %eax,nb214nf_nouter(%rsp) movl %eax,nb214nf_ninner(%rsp) movl (%rdi),%edi movl %edi,nb214nf_nri(%rsp) movq %rsi,nb214nf_iinr(%rsp) movq %rdx,nb214nf_jindex(%rsp) movq %rcx,nb214nf_jjnr(%rsp) movq %r8,nb214nf_shift(%rsp) movq %r9,nb214nf_shiftvec(%rsp) movq nb214nf_p_facel(%rbp),%rsi movss (%rsi),%xmm0 movss %xmm0,nb214nf_facel(%rsp) movq nb214nf_argkrf(%rbp),%rsi movq nb214nf_argcrf(%rbp),%rdi movss (%rsi),%xmm1 movss (%rdi),%xmm2 shufps $0,%xmm1,%xmm1 shufps $0,%xmm2,%xmm2 movaps %xmm1,nb214nf_krf(%rsp) movaps %xmm2,nb214nf_crf(%rsp) ## create constant floating-point factors on stack movl $0x3f000000,%eax ## half in IEEE (hex) movl %eax,nb214nf_half(%rsp) movss nb214nf_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,nb214nf_half(%rsp) movaps %xmm2,nb214nf_two(%rsp) movaps %xmm3,nb214nf_three(%rsp) ## assume we have at least one i particle - start directly movq nb214nf_iinr(%rsp),%rcx ## rcx = pointer into iinr[] movl (%rcx),%ebx ## ebx =ii movq nb214nf_charge(%rbp),%rdx movss 4(%rdx,%rbx,4),%xmm5 movss 12(%rdx,%rbx,4),%xmm3 movss %xmm3,%xmm4 movq nb214nf_p_facel(%rbp),%rsi movss (%rsi),%xmm0 movss nb214nf_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,nb214nf_qqMM(%rsp) movaps %xmm4,nb214nf_qqMH(%rsp) movaps %xmm5,nb214nf_qqHH(%rsp) xorps %xmm0,%xmm0 movq nb214nf_type(%rbp),%rdx movl (%rdx,%rbx,4),%ecx shll %ecx movl %ecx,%edx movq nb214nf_p_ntype(%rbp),%rdi imull (%rdi),%ecx ## rcx = ntia = 2*ntype*type[ii0] addq %rcx,%rdx movq nb214nf_vdwparam(%rbp),%rax movlps (%rax,%rdx,4),%xmm0 movaps %xmm0,%xmm1 shufps $0,%xmm0,%xmm0 shufps $0x55,%xmm1,%xmm1 movaps %xmm0,nb214nf_c6(%rsp) movaps %xmm1,nb214nf_c12(%rsp)_nb_kernel214nf_x86_64_sse.nb214nf_threadloop: movq nb214nf_count(%rbp),%rsi ## pointer to sync counter movl (%rsi),%eax_nb_kernel214nf_x86_64_sse.nb214nf_spinlock: movl %eax,%ebx ## ebx=*count=nn0 addq $1,%rbx ## rbx=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_kernel214nf_x86_64_sse.nb214nf_spinlock ## if(nn1>nri) nn1=nri movl nb214nf_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,nb214nf_n(%rsp) movl %ebx,nb214nf_nn1(%rsp) subl %eax,%ebx ## calc number of outer lists movl %eax,%esi ## copy n to esi jg _nb_kernel214nf_x86_64_sse.nb214nf_outerstart jmp _nb_kernel214nf_x86_64_sse.nb214nf_end_nb_kernel214nf_x86_64_sse.nb214nf_outerstart: ## ebx contains number of outer iterations addl nb214nf_nouter(%rsp),%ebx movl %ebx,nb214nf_nouter(%rsp)_nb_kernel214nf_x86_64_sse.nb214nf_outer: movq nb214nf_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,nb214nf_is3(%rsp) ## store is3 movq nb214nf_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 nb214nf_iinr(%rsp),%rcx ## rcx = pointer into iinr[] movl (%rcx,%rsi,4),%ebx ## ebx =ii ⌨️ 快捷键说明
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