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📄 nb_kernel112_ia32_3dnow.s

📁 最著名最快的分子模拟软件
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        subl $132,%esp          ## local stack space         femms        movl nb112nf_p_nri(%ebp),%ecx        movl nb112nf_p_ntype(%ebp),%edx        movl nb112nf_p_facel(%ebp),%esi        movl (%ecx),%ecx        movl (%edx),%edx        movl %ecx,nb112nf_nri(%esp)        movl %edx,nb112nf_ntype(%esp)        ## zero iteration counters        movl $0,%eax        movl %eax,nb112nf_nouter(%esp)        movl %eax,nb112nf_ninner(%esp)        ## assume we have at least one i particle - start directly              movl  nb112nf_iinr(%ebp),%ecx         ## ecx = pointer into iinr[]              movl  (%ecx),%ebx           ## ebx=ii         movl  nb112nf_charge(%ebp),%edx        movd  (%esi),%mm1               ## mm1=facel         movd  (%edx,%ebx,4),%mm2    ## mm2=charge[ii0] (O)         movd  4(%edx,%ebx,4),%mm3       ## mm2=charge[ii0+1] (H)          movq  %mm2,%mm4        pfmul %mm1,%mm4        movq  %mm3,%mm6        pfmul %mm1,%mm6        movq  %mm4,%mm5        pfmul %mm2,%mm4                 ## mm4=qqOO*facel         pfmul %mm3,%mm5                 ## mm5=qqOH*facel         pfmul %mm3,%mm6                 ## mm6=qqHH*facel         punpckldq %mm5,%mm5         ## spread to both halves         punpckldq %mm6,%mm6         ## spread to both halves         movq  %mm4,nb112nf_qqOO(%esp)        movq  %mm5,nb112nf_qqOH(%esp)        movq  %mm6,nb112nf_qqHH(%esp)        movl  nb112nf_type(%ebp),%edx        movl  (%edx,%ebx,4),%ecx        shll  %ecx        movl  %ecx,%edx        imull nb112nf_ntype(%esp),%ecx        addl  %ecx,%edx        movl  nb112nf_vdwparam(%ebp),%eax        movd  (%eax,%edx,4),%mm0        movd  4(%eax,%edx,4),%mm1        movq  %mm0,nb112nf_c6(%esp)        movq  %mm1,nb112nf_c12(%esp)_nb_kernel112nf_ia32_3dnow.nb112nf_threadloop:         movl  nb112nf_count(%ebp),%esi            ## pointer to sync counter        movl  (%esi),%eax_nb_kernel112nf_ia32_3dnow.nb112nf_spinlock:         movl  %eax,%ebx                         ## ebx=*count=nn0        addl  $1,%ebx                          ## ebx=nn1=nn0+10        lock         cmpxchgl %ebx,(%esi)                    ## write nn1 to *counter,                                                ## if it hasnt changed.                                                ## or reread *counter to eax.        pause                                   ## -> better p4 performance        jnz _nb_kernel112nf_ia32_3dnow.nb112nf_spinlock        ## if(nn1>nri) nn1=nri        movl nb112nf_nri(%esp),%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,nb112nf_n(%esp)        movl %ebx,nb112nf_nn1(%esp)        subl %eax,%ebx                          ## calc number of outer lists        movl %eax,%esi                          ## copy n to esi        jg  _nb_kernel112nf_ia32_3dnow.nb112nf_outerstart        jmp _nb_kernel112nf_ia32_3dnow.nb112nf_end_nb_kernel112nf_ia32_3dnow.nb112nf_outerstart:         ## ebx contains number of outer iterations        addl nb112nf_nouter(%esp),%ebx        movl %ebx,nb112nf_nouter(%esp)_nb_kernel112nf_ia32_3dnow.nb112nf_outer:         movl  nb112nf_shift(%ebp),%eax        ## eax = pointer into shift[]         movl  (%eax,%esi,4),%ebx                ## ebx=shift[n]         leal  (%ebx,%ebx,2),%ebx    ## ebx=3*is         movl  %ebx,nb112nf_is3(%esp)            ## store is3         movl  nb112nf_shiftvec(%ebp),%eax     ## eax = base of shiftvec[]         movq  (%eax,%ebx,4),%mm5        ## move shX/shY to mm5 and shZ to mm6.         movd  8(%eax,%ebx,4),%mm6        movq  %mm5,%mm0        movq  %mm5,%mm1        movq  %mm6,%mm2        punpckldq %mm0,%mm0         ## also expand shX,Y,Z in mm0--mm2.         punpckhdq %mm1,%mm1        punpckldq %mm2,%mm2        movl  nb112nf_iinr(%ebp),%ecx         ## ecx = pointer into iinr[]              movl  (%ecx,%esi,4),%ebx            ## ebx=ii         leal  (%ebx,%ebx,2),%ebx        ## ebx = 3*ii=ii3         movl  nb112nf_pos(%ebp),%eax      ## eax = base of pos[]         pfadd (%eax,%ebx,4),%mm5    ## ix = shX + posX (and iy too)         movd  8(%eax,%ebx,4),%mm7       ## cant use direct memory add for 4 bytes (iz)         movl  %ebx,nb112nf_ii3(%esp)        ## (use mm7 as temp. storage for iz.)         pfadd %mm7,%mm6        movq  %mm5,nb112nf_ixO(%esp)        movq  %mm6,nb112nf_izO(%esp)        movd  12(%eax,%ebx,4),%mm3        movd  16(%eax,%ebx,4),%mm4        movd  20(%eax,%ebx,4),%mm5        punpckldq  24(%eax,%ebx,4),%mm3        punpckldq  28(%eax,%ebx,4),%mm4        punpckldq  32(%eax,%ebx,4),%mm5    ## coords of H1 in low mm3-mm5, H2 in high         pfadd %mm3,%mm0        pfadd %mm4,%mm1        pfadd %mm5,%mm2        movq %mm0,nb112nf_ixH(%esp)        movq %mm1,nb112nf_iyH(%esp)        movq %mm2,nb112nf_izH(%esp)        ## clear vctot and i forces         pxor  %mm7,%mm7        movq  %mm7,nb112nf_vctot(%esp)        movq  %mm7,nb112nf_Vvdwtot(%esp)        movl  nb112nf_jindex(%ebp),%eax        movl  (%eax,%esi,4),%ecx             ## jindex[n]         movl  4(%eax,%esi,4),%edx            ## jindex[n+1]         subl  %ecx,%edx              ## number of innerloop atoms         movl  %edx,nb112nf_innerk(%esp)      ## number of innerloop atoms         addl  nb112nf_ninner(%esp),%edx        movl  %edx,nb112nf_ninner(%esp)        movl  nb112nf_pos(%ebp),%esi        movl  nb112nf_jjnr(%ebp),%eax        shll  $2,%ecx        addl  %ecx,%eax        movl  %eax,nb112nf_innerjjnr(%esp)       ## pointer to jjnr[nj0] _nb_kernel112nf_ia32_3dnow.nb112nf_inner_loop:         ## a single j particle iteration here - compare with the unrolled code for comments.         movl  nb112nf_innerjjnr(%esp),%eax        movl  (%eax),%eax       ## eax=jnr offset         addl $4,nb112nf_innerjjnr(%esp)             ## advance pointer         movd  nb112nf_qqOO(%esp),%mm6        movq  nb112nf_qqOH(%esp),%mm7        leal  (%eax,%eax,2),%eax        movq  (%esi,%eax,4),%mm0        movd  8(%esi,%eax,4),%mm1        ## copy & expand to mm2-mm4 for the H interactions         movq  %mm0,%mm2        movq  %mm0,%mm3        movq  %mm1,%mm4        punpckldq %mm2,%mm2        punpckhdq %mm3,%mm3        punpckldq %mm4,%mm4        pfsubr nb112nf_ixO(%esp),%mm0        pfsubr nb112nf_izO(%esp),%mm1        pfmul %mm0,%mm0        pfmul %mm1,%mm1        pfacc %mm0,%mm0        pfadd %mm1,%mm0         ## mm0=rsqO         punpckldq %mm2,%mm2        punpckldq %mm3,%mm3        punpckldq %mm4,%mm4 ## mm2-mm4 is jx-jz         pfsubr nb112nf_ixH(%esp),%mm2        pfsubr nb112nf_iyH(%esp),%mm3        pfsubr nb112nf_izH(%esp),%mm4   ## mm2-mm4 is dxH-dzH         pfmul %mm2,%mm2        pfmul %mm3,%mm3        pfmul %mm4,%mm4        pfadd %mm2,%mm3        pfadd %mm4,%mm3         ## mm3=rsqH         pfrsqrt %mm0,%mm1        movq %mm1,%mm2        pfmul %mm1,%mm1        pfrsqit1 %mm0,%mm1        pfrcpit2 %mm2,%mm1      ## mm1=invsqrt          movq  %mm1,%mm4        pfmul %mm4,%mm4         ## mm4=invsq          movq %mm4,%mm2        pfmul %mm4,%mm2        pfmul %mm4,%mm2        movq %mm2,%mm0        pfmul %mm0,%mm0        pfmul nb112nf_c6(%esp),%mm2        pfmul nb112nf_c12(%esp),%mm0        movq %mm0,%mm5        pfsub %mm2,%mm5         ## Vvdw         ## calculate potential and scalar force         pfmul %mm1,%mm6         ## mm6=vcoul         ## update nb potential         pfadd nb112nf_Vvdwtot(%esp),%mm5        movq %mm5,nb112nf_Vvdwtot(%esp)        pfrsqrt %mm3,%mm5        pswapd %mm3,%mm3        pfrsqrt %mm3,%mm2        pswapd %mm3,%mm3        punpckldq %mm2,%mm5     ## seeds are in mm5 now, and rsq in mm3         movq %mm5,%mm2        pfmul %mm5,%mm5        pfrsqit1 %mm3,%mm5        pfrcpit2 %mm2,%mm5      ## mm5=invsqrt         pfmul %mm5,%mm7         ## mm7=vcoul         ## update vctot         pfadd %mm6,%mm7        pfadd nb112nf_vctot(%esp),%mm7        movq %mm7,nb112nf_vctot(%esp)        ## interactions with j H1         movq  12(%esi,%eax,4),%mm0        movd  20(%esi,%eax,4),%mm1        ## copy & expand to mm2-mm4 for the H interactions         movq  %mm0,%mm2        movq  %mm0,%mm3        movq  %mm1,%mm4        punpckldq %mm2,%mm2        punpckhdq %mm3,%mm3        punpckldq %mm4,%mm4        movd nb112nf_qqOH(%esp),%mm6        movq nb112nf_qqHH(%esp),%mm7        pfsubr nb112nf_ixO(%esp),%mm0        pfsubr nb112nf_izO(%esp),%mm1        pfmul %mm0,%mm0        pfmul %mm1,%mm1        pfacc %mm1,%mm0        pfadd %mm1,%mm0         ## mm0=rsqO         punpckldq %mm2,%mm2        punpckldq %mm3,%mm3        punpckldq %mm4,%mm4 ## mm2-mm4 is jx-jz         pfsubr nb112nf_ixH(%esp),%mm2        pfsubr nb112nf_iyH(%esp),%mm3        pfsubr nb112nf_izH(%esp),%mm4   ## mm2-mm4 is dxH-dzH         pfmul %mm2,%mm2        pfmul %mm3,%mm3        pfmul %mm4,%mm4        pfadd %mm2,%mm3        pfadd %mm4,%mm3         ## mm3=rsqH         pfrsqrt %mm0,%mm1        movq %mm1,%mm2        pfmul %mm1,%mm1        pfrsqit1 %mm0,%mm1        pfrcpit2 %mm2,%mm1      ## mm1=invsqrt         ## calculate potential and scalar force         pfmul %mm1,%mm6         ## mm6=vcoul         pfrsqrt %mm3,%mm5        pswapd %mm3,%mm3        pfrsqrt %mm3,%mm2        pswapd %mm3,%mm3        punpckldq %mm2,%mm5     ## seeds are in mm5 now, and rsq in mm3         movq %mm5,%mm2        pfmul %mm5,%mm5        pfrsqit1 %mm3,%mm5        pfrcpit2 %mm2,%mm5      ## mm5=invsqrt         pfmul %mm5,%mm7         ## mm7=vcoul         ## update vctot         pfadd %mm6,%mm7        pfadd nb112nf_vctot(%esp),%mm7        movq %mm7,nb112nf_vctot(%esp)        ## interactions with j H2         movq  24(%esi,%eax,4),%mm0        movd  32(%esi,%eax,4),%mm1        ## copy & expand to mm2-mm4 for the H interactions         movq  %mm0,%mm2        movq  %mm0,%mm3        movq  %mm1,%mm4        punpckldq %mm2,%mm2        punpckhdq %mm3,%mm3        punpckldq %mm4,%mm4        movd nb112nf_qqOH(%esp),%mm6        movq nb112nf_qqHH(%esp),%mm7        pfsubr nb112nf_ixO(%esp),%mm0        pfsubr nb112nf_izO(%esp),%mm1        pfmul %mm0,%mm0        pfmul %mm1,%mm1        pfacc %mm1,%mm0        pfadd %mm1,%mm0         ## mm0=rsqO         punpckldq %mm2,%mm2        punpckldq %mm3,%mm3        punpckldq %mm4,%mm4 ## mm2-mm4 is jx-jz         pfsubr nb112nf_ixH(%esp),%mm2        pfsubr nb112nf_iyH(%esp),%mm3        pfsubr nb112nf_izH(%esp),%mm4   ## mm2-mm4 is dxH-dzH         pfmul %mm2,%mm2        pfmul %mm3,%mm3        pfmul %mm4,%mm4        pfadd %mm2,%mm3        pfadd %mm4,%mm3         ## mm3=rsqH         pfrsqrt %mm0,%mm1        movq %mm1,%mm2        pfmul %mm1,%mm1        pfrsqit1 %mm0,%mm1        pfrcpit2 %mm2,%mm1      ## mm1=invsqrt         ## calculate potential and scalar force         pfmul %mm1,%mm6         ## mm6=vcoul         pfrsqrt %mm3,%mm5        pswapd %mm3,%mm3        pfrsqrt %mm3,%mm2        pswapd %mm3,%mm3        punpckldq %mm2,%mm5     ## seeds are in mm5 now, and rsq in mm3.         movq %mm5,%mm2        pfmul %mm5,%mm5        pfrsqit1 %mm3,%mm5        pfrcpit2 %mm2,%mm5      ## mm5=invsqrt         pfmul %mm5,%mm7         ## mm7=vcoul         ## update vctot         pfadd %mm6,%mm7        pfadd nb112nf_vctot(%esp),%mm7        movq %mm7,nb112nf_vctot(%esp)        ##  done  - one more?         decl nb112nf_innerk(%esp)        jz  _nb_kernel112nf_ia32_3dnow.nb112nf_updateouterdata        jmp _nb_kernel112nf_ia32_3dnow.nb112nf_inner_loop_nb_kernel112nf_ia32_3dnow.nb112nf_updateouterdata:         ## get n from stack        movl nb112nf_n(%esp),%esi        ## get group index for i particle         movl  nb112nf_gid(%ebp),%edx            ## base of gid[]        movl  (%edx,%esi,4),%edx                ## ggid=gid[n]        movq  nb112nf_vctot(%esp),%mm7        pfacc %mm7,%mm7           ## get and sum the two parts of total potential         movl  nb112nf_Vc(%ebp),%eax        movd  (%eax,%edx,4),%mm6        pfadd %mm7,%mm6        movd  %mm6,(%eax,%edx,4)          ## increment vc[gid]         movq  nb112nf_Vvdwtot(%esp),%mm7        pfacc %mm7,%mm7           ## get and sum the two parts of total potential         movl  nb112nf_Vvdw(%ebp),%eax        movd  (%eax,%edx,4),%mm6        pfadd %mm7,%mm6        movd  %mm6,(%eax,%edx,4)          ## increment Vvdwtot[gid]         ## finish if last         movl nb112nf_nn1(%esp),%ecx        ## esi already loaded with n        incl %esi        subl %esi,%ecx        jz _nb_kernel112nf_ia32_3dnow.nb112nf_outerend        ## not last, iterate outer loop once more!          movl %esi,nb112nf_n(%esp)        jmp _nb_kernel112nf_ia32_3dnow.nb112nf_outer_nb_kernel112nf_ia32_3dnow.nb112nf_outerend:         ## check if more outer neighborlists remain        movl  nb112nf_nri(%esp),%ecx        ## esi already loaded with n above        subl  %esi,%ecx        jz _nb_kernel112nf_ia32_3dnow.nb112nf_end        ## non-zero, do one more workunit        jmp   _nb_kernel112nf_ia32_3dnow.nb112nf_threadloop_nb_kernel112nf_ia32_3dnow.nb112nf_end:         femms        movl nb112nf_nouter(%esp),%eax        movl nb112nf_ninner(%esp),%ebx        movl nb112nf_outeriter(%ebp),%ecx        movl nb112nf_inneriter(%ebp),%edx        movl %eax,(%ecx)        movl %ebx,(%edx)        addl $132,%esp        popl %edi        popl %esi        popl %edx        popl %ecx        popl %ebx        popl %eax        leave        ret

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