nb_kernel103_x86_64_sse2.s

来自「最著名最快的分子模拟软件」· S 代码 · 共 1,598 行 · 第 1/4 页

S
1,598
字号
        ## twice unrolled innerloop here         movq  nb103nf_innerjjnr(%rsp),%rdx       ## pointer to jjnr[k]         movl  (%rdx),%eax        movl  4(%rdx),%ebx        addq $8,nb103nf_innerjjnr(%rsp)             ## advance pointer (unrolled 2)         movq nb103nf_charge(%rbp),%rsi     ## base of charge[]         movlpd (%rsi,%rax,8),%xmm6      ## jq A         movhpd (%rsi,%rbx,8),%xmm6      ## jq B         movapd nb103nf_iqM(%rsp),%xmm3        movapd nb103nf_iqH(%rsp),%xmm4        mulpd %xmm6,%xmm3               ## qqM         mulpd %xmm6,%xmm4               ## qqH         movapd  %xmm3,nb103nf_qqM(%rsp)        movapd  %xmm4,nb103nf_qqH(%rsp)        movq nb103nf_pos(%rbp),%rsi        ## base of pos[]         lea  (%rax,%rax,2),%rax     ## replace jnr with j3         lea  (%rbx,%rbx,2),%rbx        ## move two coordinates to xmm0-xmm2            movlpd (%rsi,%rax,8),%xmm0        movlpd 8(%rsi,%rax,8),%xmm1        movlpd 16(%rsi,%rax,8),%xmm2        movhpd (%rsi,%rbx,8),%xmm0        movhpd 8(%rsi,%rbx,8),%xmm1        movhpd 16(%rsi,%rbx,8),%xmm2        ## move ixM-izM to xmm4-xmm6         movapd nb103nf_ixM(%rsp),%xmm4        movapd nb103nf_iyM(%rsp),%xmm5        movapd nb103nf_izM(%rsp),%xmm6        ## calc dr         subpd %xmm0,%xmm4        subpd %xmm1,%xmm5        subpd %xmm2,%xmm6        ## square it         mulpd %xmm4,%xmm4        mulpd %xmm5,%xmm5        mulpd %xmm6,%xmm6        addpd %xmm5,%xmm4        addpd %xmm6,%xmm4        movapd %xmm4,%xmm7        ## rsqM in xmm7         ## move ixH1-izH1 to xmm4-xmm6         movapd nb103nf_ixH1(%rsp),%xmm4        movapd nb103nf_iyH1(%rsp),%xmm5        movapd nb103nf_izH1(%rsp),%xmm6        ## calc dr         subpd %xmm0,%xmm4        subpd %xmm1,%xmm5        subpd %xmm2,%xmm6        ## square it         mulpd %xmm4,%xmm4        mulpd %xmm5,%xmm5        mulpd %xmm6,%xmm6        addpd %xmm5,%xmm6        addpd %xmm4,%xmm6        ## rsqH1 in xmm6         ## move ixH2-izH2 to xmm3-xmm5          movapd nb103nf_ixH2(%rsp),%xmm3        movapd nb103nf_iyH2(%rsp),%xmm4        movapd nb103nf_izH2(%rsp),%xmm5        ## calc dr         subpd %xmm0,%xmm3        subpd %xmm1,%xmm4        subpd %xmm2,%xmm5        ## square it         mulpd %xmm3,%xmm3        mulpd %xmm4,%xmm4        mulpd %xmm5,%xmm5        addpd %xmm4,%xmm5        addpd %xmm3,%xmm5        ## rsqH2 in xmm5, rsqH1 in xmm6, rsqM in xmm7         ## start with rsqM - put seed in xmm2         cvtpd2ps %xmm7,%xmm2        rsqrtps %xmm2,%xmm2        cvtps2pd %xmm2,%xmm2        movapd  %xmm2,%xmm3        mulpd   %xmm2,%xmm2        movapd  nb103nf_three(%rsp),%xmm4        mulpd   %xmm7,%xmm2     ## rsq*lu*lu         subpd   %xmm2,%xmm4     ## 30-rsq*lu*lu         mulpd   %xmm3,%xmm4     ## lu*(3-rsq*lu*lu)         mulpd   nb103nf_half(%rsp),%xmm4   ## iter1 ( new lu)         movapd %xmm4,%xmm3        mulpd %xmm4,%xmm4       ## lu*lu         mulpd %xmm4,%xmm7       ## rsq*lu*lu         movapd nb103nf_three(%rsp),%xmm4        subpd %xmm7,%xmm4       ## 3-rsq*lu*lu         mulpd %xmm3,%xmm4       ## lu*( 3-rsq*lu*lu)         mulpd nb103nf_half(%rsp),%xmm4   ## rinv         movapd  %xmm4,%xmm7     ## rinvM in xmm7         ## rsqH1 - seed in xmm2         cvtpd2ps %xmm6,%xmm2        rsqrtps %xmm2,%xmm2        cvtps2pd %xmm2,%xmm2        movapd  %xmm2,%xmm3        mulpd   %xmm2,%xmm2        movapd  nb103nf_three(%rsp),%xmm4        mulpd   %xmm6,%xmm2     ## rsq*lu*lu         subpd   %xmm2,%xmm4     ## 30-rsq*lu*lu         mulpd   %xmm3,%xmm4     ## lu*(3-rsq*lu*lu)         mulpd   nb103nf_half(%rsp),%xmm4   ## iter1 ( new lu)         movapd %xmm4,%xmm3        mulpd %xmm4,%xmm4       ## lu*lu         mulpd %xmm4,%xmm6       ## rsq*lu*lu         movapd nb103nf_three(%rsp),%xmm4        subpd %xmm6,%xmm4       ## 3-rsq*lu*lu         mulpd %xmm3,%xmm4       ## lu*( 3-rsq*lu*lu)         mulpd nb103nf_half(%rsp),%xmm4   ## rinv         movapd  %xmm4,%xmm6     ## rinvH1 in xmm6         ## rsqH2 - seed in xmm2         cvtpd2ps %xmm5,%xmm2        rsqrtps %xmm2,%xmm2        cvtps2pd %xmm2,%xmm2        movapd  %xmm2,%xmm3        mulpd   %xmm2,%xmm2        movapd  nb103nf_three(%rsp),%xmm4        mulpd   %xmm5,%xmm2     ## rsq*lu*lu         subpd   %xmm2,%xmm4     ## 30-rsq*lu*lu         mulpd   %xmm3,%xmm4     ## lu*(3-rsq*lu*lu)         mulpd   nb103nf_half(%rsp),%xmm4   ## iter1 ( new lu)         movapd %xmm4,%xmm3        mulpd %xmm4,%xmm4       ## lu*lu         mulpd %xmm4,%xmm5       ## rsq*lu*lu         movapd nb103nf_three(%rsp),%xmm4        subpd %xmm5,%xmm4       ## 3-rsq*lu*lu         mulpd %xmm3,%xmm4       ## lu*( 3-rsq*lu*lu)         mulpd nb103nf_half(%rsp),%xmm4   ## rinv         movapd  %xmm4,%xmm5     ## rinvH2 in xmm5         ## do M interactions         mulpd  nb103nf_qqM(%rsp),%xmm7          ## xmm7=vcoul         addpd  nb103nf_vctot(%rsp),%xmm7        movapd %xmm7,nb103nf_vctot(%rsp)        ## H1 interactions         mulpd  nb103nf_qqH(%rsp),%xmm6          ## xmm6=vcoul         addpd  nb103nf_vctot(%rsp),%xmm6        movapd %xmm6,nb103nf_vctot(%rsp)        ## H2 interactions         mulpd  nb103nf_qqH(%rsp),%xmm5          ## xmm5=vcoul         addpd  nb103nf_vctot(%rsp),%xmm5        movapd %xmm5,nb103nf_vctot(%rsp)        ## should we do one more iteration?         subl $2,nb103nf_innerk(%rsp)        jl    _nb_kernel103nf_x86_64_sse2.nb103nf_checksingle        jmp   _nb_kernel103nf_x86_64_sse2.nb103nf_unroll_loop_nb_kernel103nf_x86_64_sse2.nb103nf_checksingle:         movl  nb103nf_innerk(%rsp),%edx        andl  $1,%edx        jnz   _nb_kernel103nf_x86_64_sse2.nb103nf_dosingle        jmp   _nb_kernel103nf_x86_64_sse2.nb103nf_updateouterdata_nb_kernel103nf_x86_64_sse2.nb103nf_dosingle:         movq  nb103nf_innerjjnr(%rsp),%rdx       ## pointer to jjnr[k]         movl  (%rdx),%eax        movq nb103nf_charge(%rbp),%rsi     ## base of charge[]         xorpd %xmm6,%xmm6        movlpd (%rsi,%rax,8),%xmm6      ## jq A         movapd nb103nf_iqM(%rsp),%xmm3        movapd nb103nf_iqH(%rsp),%xmm4        mulsd %xmm6,%xmm3               ## qqM         mulsd %xmm6,%xmm4               ## qqH         movapd  %xmm3,nb103nf_qqM(%rsp)        movapd  %xmm4,nb103nf_qqH(%rsp)        movq nb103nf_pos(%rbp),%rsi        ## base of pos[]         lea  (%rax,%rax,2),%rax     ## replace jnr with j3         ## move coordinates to xmm0-xmm2                movlpd (%rsi,%rax,8),%xmm0        movlpd 8(%rsi,%rax,8),%xmm1        movlpd 16(%rsi,%rax,8),%xmm2        ## move ixM-izM to xmm4-xmm6         movapd nb103nf_ixM(%rsp),%xmm4        movapd nb103nf_iyM(%rsp),%xmm5        movapd nb103nf_izM(%rsp),%xmm6        ## calc dr         subsd %xmm0,%xmm4        subsd %xmm1,%xmm5        subsd %xmm2,%xmm6        ## square it         mulsd %xmm4,%xmm4        mulsd %xmm5,%xmm5        mulsd %xmm6,%xmm6        addsd %xmm5,%xmm4        addsd %xmm6,%xmm4        movapd %xmm4,%xmm7        ## rsqM in xmm7         ## move ixH1-izH1 to xmm4-xmm6         movapd nb103nf_ixH1(%rsp),%xmm4        movapd nb103nf_iyH1(%rsp),%xmm5        movapd nb103nf_izH1(%rsp),%xmm6        ## calc dr         subsd %xmm0,%xmm4        subsd %xmm1,%xmm5        subsd %xmm2,%xmm6        ## square it         mulsd %xmm4,%xmm4        mulsd %xmm5,%xmm5        mulsd %xmm6,%xmm6        addsd %xmm5,%xmm6        addsd %xmm4,%xmm6        ## rsqH1 in xmm6         ## move ixH2-izH2 to xmm3-xmm5          movapd nb103nf_ixH2(%rsp),%xmm3        movapd nb103nf_iyH2(%rsp),%xmm4        movapd nb103nf_izH2(%rsp),%xmm5        ## calc dr         subsd %xmm0,%xmm3        subsd %xmm1,%xmm4        subsd %xmm2,%xmm5        ## square it         mulsd %xmm3,%xmm3        mulsd %xmm4,%xmm4        mulsd %xmm5,%xmm5        addsd %xmm4,%xmm5        addsd %xmm3,%xmm5        ## rsqH2 in xmm5, rsqH1 in xmm6, rsqM in xmm7         ## start with rsqM - put seed in xmm2         cvtsd2ss %xmm7,%xmm2        rsqrtss %xmm2,%xmm2        cvtss2sd %xmm2,%xmm2        movapd  %xmm2,%xmm3        mulsd   %xmm2,%xmm2        movapd  nb103nf_three(%rsp),%xmm4        mulsd   %xmm7,%xmm2     ## rsq*lu*lu         subsd   %xmm2,%xmm4     ## 30-rsq*lu*lu         mulsd   %xmm3,%xmm4     ## lu*(3-rsq*lu*lu)         mulsd   nb103nf_half(%rsp),%xmm4   ## iter1 ( new lu)         movapd %xmm4,%xmm3        mulsd %xmm4,%xmm4       ## lu*lu         mulsd %xmm4,%xmm7       ## rsq*lu*lu         movapd nb103nf_three(%rsp),%xmm4        subsd %xmm7,%xmm4       ## 3-rsq*lu*lu         mulsd %xmm3,%xmm4       ## lu*( 3-rsq*lu*lu)         mulsd nb103nf_half(%rsp),%xmm4   ## rinv         movapd  %xmm4,%xmm7     ## rinvM in xmm7         ## rsqH1 - seed in xmm2         cvtsd2ss %xmm6,%xmm2        rsqrtss %xmm2,%xmm2        cvtss2sd %xmm2,%xmm2        movapd  %xmm2,%xmm3        mulsd   %xmm2,%xmm2        movapd  nb103nf_three(%rsp),%xmm4        mulsd   %xmm6,%xmm2     ## rsq*lu*lu         subsd   %xmm2,%xmm4     ## 30-rsq*lu*lu         mulsd   %xmm3,%xmm4     ## lu*(3-rsq*lu*lu)         mulsd   nb103nf_half(%rsp),%xmm4   ## iter1 ( new lu)         movapd %xmm4,%xmm3        mulsd %xmm4,%xmm4       ## lu*lu         mulsd %xmm4,%xmm6       ## rsq*lu*lu         movapd nb103nf_three(%rsp),%xmm4        subsd %xmm6,%xmm4       ## 3-rsq*lu*lu         mulsd %xmm3,%xmm4       ## lu*( 3-rsq*lu*lu)         mulsd nb103nf_half(%rsp),%xmm4   ## rinv         movapd  %xmm4,%xmm6     ## rinvH1 in xmm6         ## rsqH2 - seed in xmm2         cvtsd2ss %xmm5,%xmm2        rsqrtss %xmm2,%xmm2        cvtss2sd %xmm2,%xmm2        movapd  %xmm2,%xmm3        mulsd   %xmm2,%xmm2        movapd  nb103nf_three(%rsp),%xmm4        mulsd   %xmm5,%xmm2     ## rsq*lu*lu         subsd   %xmm2,%xmm4     ## 30-rsq*lu*lu         mulsd   %xmm3,%xmm4     ## lu*(3-rsq*lu*lu)         mulsd   nb103nf_half(%rsp),%xmm4   ## iter1 ( new lu)         movapd %xmm4,%xmm3        mulsd %xmm4,%xmm4       ## lu*lu         mulsd %xmm4,%xmm5       ## rsq*lu*lu         movapd nb103nf_three(%rsp),%xmm4        subsd %xmm5,%xmm4       ## 3-rsq*lu*lu         mulsd %xmm3,%xmm4       ## lu*( 3-rsq*lu*lu)         mulsd nb103nf_half(%rsp),%xmm4   ## rinv         movapd  %xmm4,%xmm5     ## rinvH2 in xmm5         ## do M interactions         mulsd  nb103nf_qqM(%rsp),%xmm7          ## xmm7=vcoul         addsd  nb103nf_vctot(%rsp),%xmm7        movlpd %xmm7,nb103nf_vctot(%rsp)        ## H1 interactions         mulsd  nb103nf_qqH(%rsp),%xmm6          ## xmm6=vcoul         addsd  nb103nf_vctot(%rsp),%xmm6        movlpd %xmm6,nb103nf_vctot(%rsp)        ## H2 interactions         mulsd  nb103nf_qqH(%rsp),%xmm5          ## xmm5=vcoul         addsd  nb103nf_vctot(%rsp),%xmm5        movlpd %xmm5,nb103nf_vctot(%rsp)_nb_kernel103nf_x86_64_sse2.nb103nf_updateouterdata:         ## get n from stack        movl nb103nf_n(%rsp),%esi        ## get group index for i particle         movq  nb103nf_gid(%rbp),%rdx            ## base of gid[]        movl  (%rdx,%rsi,4),%edx                ## ggid=gid[n]        movapd nb103nf_vctot(%rsp),%xmm7        ## accumulate         movhlps %xmm7,%xmm6        addsd  %xmm6,%xmm7      ## pos 0-1 in xmm7 have the sum now         ## add earlier value from mem         movq  nb103nf_Vc(%rbp),%rax        addsd (%rax,%rdx,8),%xmm7        ## move back to mem         movsd %xmm7,(%rax,%rdx,8)        ## finish if last         movl nb103nf_nn1(%rsp),%ecx        ## esi already loaded with n        incl %esi        subl %esi,%ecx        jz _nb_kernel103nf_x86_64_sse2.nb103nf_outerend        ## not last, iterate outer loop once more!          movl %esi,nb103nf_n(%rsp)        jmp _nb_kernel103nf_x86_64_sse2.nb103nf_outer_nb_kernel103nf_x86_64_sse2.nb103nf_outerend:         ## check if more outer neighborlists remain        movl  nb103nf_nri(%rsp),%ecx        ## esi already loaded with n above        subl  %esi,%ecx        jz _nb_kernel103nf_x86_64_sse2.nb103nf_end        ## non-zero, do one more workunit        jmp   _nb_kernel103nf_x86_64_sse2.nb103nf_threadloop_nb_kernel103nf_x86_64_sse2.nb103nf_end:         movl nb103nf_nouter(%rsp),%eax        movl nb103nf_ninner(%rsp),%ebx        movq nb103nf_outeriter(%rbp),%rcx        movq nb103nf_inneriter(%rbp),%rdx        movl %eax,(%rcx)        movl %ebx,(%rdx)        addq $360,%rsp        emms        pop %r15        pop %r14        pop %r13        pop %r12        pop %rbx        pop    %rbp        ret

⌨️ 快捷键说明

复制代码Ctrl + C
搜索代码Ctrl + F
全屏模式F11
增大字号Ctrl + =
减小字号Ctrl + -
显示快捷键?