nb_kernel230_ia32_sse.s
来自「最著名最快的分子模拟软件」· S 代码 · 共 2,028 行 · 第 1/5 页
S
2,028 行
andl $2,%edx jnz _nb_kernel230nf_ia32_sse.nb230nf_dopair jmp _nb_kernel230nf_ia32_sse.nb230nf_checksingle_nb_kernel230nf_ia32_sse.nb230nf_dopair: movl nb230nf_charge(%ebp),%esi movl nb230nf_innerjjnr(%esp),%ecx movl (%ecx),%eax movl 4(%ecx),%ebx addl $8,nb230nf_innerjjnr(%esp) xorps %xmm3,%xmm3 movss (%esi,%eax,4),%xmm3 movss (%esi,%ebx,4),%xmm6 shufps $12,%xmm6,%xmm3 ## constant 00001100 shufps $88,%xmm3,%xmm3 ## constant 01011000 ;# xmm3(0,1) has the charges movl nb230nf_type(%ebp),%esi movl %eax,%ecx movl %ebx,%edx movl (%esi,%ecx,4),%ecx movl (%esi,%edx,4),%edx movl nb230nf_vdwparam(%ebp),%esi shll %ecx shll %edx movl nb230nf_ntia(%esp),%edi addl %edi,%ecx addl %edi,%edx movlps (%esi,%ecx,4),%xmm6 movhps (%esi,%edx,4),%xmm6 movl nb230nf_pos(%ebp),%edi xorps %xmm7,%xmm7 movaps %xmm6,%xmm4 shufps $8,%xmm4,%xmm4 ## constant 00001000 shufps $13,%xmm6,%xmm6 ## constant 00001101 movlhps %xmm7,%xmm4 movlhps %xmm7,%xmm6 movaps %xmm4,nb230nf_c6(%esp) movaps %xmm6,nb230nf_c12(%esp) leal (%eax,%eax,2),%eax leal (%ebx,%ebx,2),%ebx ## move coordinates to xmm0-xmm2 movlps (%edi,%eax,4),%xmm1 movss 8(%edi,%eax,4),%xmm2 movhps (%edi,%ebx,4),%xmm1 movss 8(%edi,%ebx,4),%xmm0 mulps nb230nf_iq(%esp),%xmm3 movlhps %xmm7,%xmm3 shufps $0,%xmm0,%xmm2 movaps %xmm1,%xmm0 shufps $136,%xmm2,%xmm2 ## constant 10001000 shufps $136,%xmm0,%xmm0 ## constant 10001000 shufps $221,%xmm1,%xmm1 ## constant 11011101 ## move ix-iz to xmm4-xmm6 xorps %xmm7,%xmm7 movaps nb230nf_ix(%esp),%xmm4 movaps nb230nf_iy(%esp),%xmm5 movaps nb230nf_iz(%esp),%xmm6 ## calc dr subps %xmm0,%xmm4 subps %xmm1,%xmm5 subps %xmm2,%xmm6 ## square it mulps %xmm4,%xmm4 mulps %xmm5,%xmm5 mulps %xmm6,%xmm6 addps %xmm5,%xmm4 addps %xmm6,%xmm4 ## rsq in xmm4 movaps nb230nf_krf(%esp),%xmm7 rsqrtps %xmm4,%xmm5 ## lookup seed in xmm5 movaps %xmm5,%xmm2 mulps %xmm5,%xmm5 movaps nb230nf_three(%esp),%xmm1 mulps %xmm4,%xmm5 ## rsq*lu*lu movaps nb230nf_half(%esp),%xmm0 mulps %xmm4,%xmm7 ## xmm7=krsq subps %xmm5,%xmm1 ## constant 30-rsq*lu*lu mulps %xmm2,%xmm1 mulps %xmm1,%xmm0 ## xmm0=rinv movaps %xmm0,%xmm1 movaps %xmm0,%xmm6 addps %xmm7,%xmm6 ## xmm6=rinv+ krsq subps nb230nf_crf(%esp),%xmm6 mulps %xmm3,%xmm6 ## xmm6=vcoul=qq*(rinv+ krsq-crf) addps nb230nf_vctot(%esp),%xmm6 movaps %xmm6,nb230nf_vctot(%esp) ## LJ table mulps %xmm1,%xmm4 ## r mulps nb230nf_tsc(%esp),%xmm4 ## rtab movaps %xmm1,%xmm0 ## copy of rinv cvttps2pi %xmm4,%mm6 cvtpi2ps %mm6,%xmm6 subps %xmm6,%xmm4 movaps %xmm4,%xmm1 ## xmm1=eps movaps %xmm1,%xmm2 mulps %xmm2,%xmm2 ## xmm2=eps2 pslld $3,%mm6 movl nb230nf_VFtab(%ebp),%esi movd %mm6,%eax psrlq $32,%mm6 movd %mm6,%ebx ## dispersion movlps (%esi,%eax,4),%xmm5 movhps (%esi,%ebx,4),%xmm5 movaps %xmm5,%xmm4 shufps $136,%xmm7,%xmm4 ## constant 10001000 shufps $221,%xmm7,%xmm5 ## constant 11011101 movlps 8(%esi,%eax,4),%xmm7 movhps 8(%esi,%ebx,4),%xmm7 movaps %xmm7,%xmm6 shufps $136,%xmm3,%xmm6 ## constant 10001000 shufps $221,%xmm3,%xmm7 ## constant 11011101 ## dispersion table ready, in xmm4-xmm7 mulps %xmm1,%xmm6 ## xmm6=Geps mulps %xmm2,%xmm7 ## xmm7=Heps2 addps %xmm6,%xmm5 addps %xmm7,%xmm5 ## xmm5=Fp mulps %xmm1,%xmm5 ## xmm5=eps*Fp addps %xmm4,%xmm5 ## xmm5=VV movaps nb230nf_c6(%esp),%xmm4 mulps %xmm4,%xmm5 ## Vvdw6 ## Update Vvdwtot directly addps nb230nf_Vvdwtot(%esp),%xmm5 movaps %xmm5,nb230nf_Vvdwtot(%esp) ## repulsion movlps 16(%esi,%eax,4),%xmm5 movhps 16(%esi,%ebx,4),%xmm5 movaps %xmm5,%xmm4 shufps $136,%xmm7,%xmm4 ## constant 10001000 shufps $221,%xmm7,%xmm5 ## constant 11011101 movlps 24(%esi,%eax,4),%xmm7 movhps 24(%esi,%ebx,4),%xmm7 movaps %xmm7,%xmm6 shufps $136,%xmm3,%xmm6 ## constant 10001000 shufps $221,%xmm3,%xmm7 ## constant 11011101 ## table ready, in xmm4-xmm7 mulps %xmm1,%xmm6 ## xmm6=Geps mulps %xmm2,%xmm7 ## xmm7=Heps2 addps %xmm6,%xmm5 addps %xmm7,%xmm5 ## xmm5=Fp mulps %xmm1,%xmm5 ## xmm5=eps*Fp addps %xmm4,%xmm5 ## xmm5=VV movaps nb230nf_c12(%esp),%xmm4 mulps %xmm4,%xmm5 ## Vvdw12 addps nb230nf_Vvdwtot(%esp),%xmm5 movaps %xmm5,nb230nf_Vvdwtot(%esp)_nb_kernel230nf_ia32_sse.nb230nf_checksingle: movl nb230nf_innerk(%esp),%edx andl $1,%edx jnz _nb_kernel230nf_ia32_sse.nb230nf_dosingle jmp _nb_kernel230nf_ia32_sse.nb230nf_updateouterdata_nb_kernel230nf_ia32_sse.nb230nf_dosingle: movl nb230nf_charge(%ebp),%esi movl nb230nf_pos(%ebp),%edi movl nb230nf_innerjjnr(%esp),%ecx xorps %xmm3,%xmm3 movl (%ecx),%eax movss (%esi,%eax,4),%xmm3 ## xmm3(0) has the charge movl nb230nf_type(%ebp),%esi movl %eax,%ecx movl (%esi,%ecx,4),%ecx movl nb230nf_vdwparam(%ebp),%esi shll %ecx addl nb230nf_ntia(%esp),%ecx xorps %xmm6,%xmm6 movlps (%esi,%ecx,4),%xmm6 movaps %xmm6,%xmm4 shufps $252,%xmm4,%xmm4 ## constant 11111100 shufps $253,%xmm6,%xmm6 ## constant 11111101 movaps %xmm4,nb230nf_c6(%esp) movaps %xmm6,nb230nf_c12(%esp) leal (%eax,%eax,2),%eax ## move coordinates to xmm0-xmm2 movss (%edi,%eax,4),%xmm0 movss 4(%edi,%eax,4),%xmm1 movss 8(%edi,%eax,4),%xmm2 mulps nb230nf_iq(%esp),%xmm3 xorps %xmm7,%xmm7 movaps nb230nf_ix(%esp),%xmm4 movaps nb230nf_iy(%esp),%xmm5 movaps nb230nf_iz(%esp),%xmm6 ## calc dr subps %xmm0,%xmm4 subps %xmm1,%xmm5 subps %xmm2,%xmm6 ## square it mulps %xmm4,%xmm4 mulps %xmm5,%xmm5 mulps %xmm6,%xmm6 addps %xmm5,%xmm4 addps %xmm6,%xmm4 ## rsq in xmm4 movss nb230nf_krf(%esp),%xmm7 rsqrtss %xmm4,%xmm5 ## lookup seed in xmm5 movss %xmm5,%xmm2 mulss %xmm5,%xmm5 movss nb230nf_three(%esp),%xmm1 mulss %xmm4,%xmm5 ## rsq*lu*lu movss nb230nf_half(%esp),%xmm0 mulss %xmm4,%xmm7 ## xmm7=krsq subss %xmm5,%xmm1 ## constant 30-rsq*lu*lu mulss %xmm2,%xmm1 mulss %xmm1,%xmm0 ## xmm0=rinv movss %xmm0,%xmm1 movss %xmm0,%xmm6 addss %xmm7,%xmm6 ## xmm6=rinv+ krsq subss nb230nf_crf(%esp),%xmm6 mulss %xmm3,%xmm6 ## xmm6=vcoul=qq*(rinv+ krsq-crf) addss nb230nf_vctot(%esp),%xmm6 movss %xmm6,nb230nf_vctot(%esp) ## LJ table mulss %xmm1,%xmm4 ## r mulss nb230nf_tsc(%esp),%xmm4 ## rtab movaps %xmm1,%xmm0 ## copy of rinv cvttps2pi %xmm4,%mm6 cvtpi2ps %mm6,%xmm6 subss %xmm6,%xmm4 movss %xmm4,%xmm1 ## xmm1=eps movss %xmm1,%xmm2 mulss %xmm2,%xmm2 ## xmm2=eps2 pslld $3,%mm6 movd %eax,%mm0 movl nb230nf_VFtab(%ebp),%esi movd %mm6,%eax ## dispersion movlps (%esi,%eax,4),%xmm5 movaps %xmm5,%xmm4 shufps $136,%xmm7,%xmm4 ## constant 10001000 shufps $221,%xmm7,%xmm5 ## constant 11011101 movlps 8(%esi,%eax,4),%xmm7 movaps %xmm7,%xmm6 shufps $136,%xmm3,%xmm6 ## constant 10001000 shufps $221,%xmm3,%xmm7 ## constant 11011101 ## dispersion table ready, in xmm4-xmm7 mulss %xmm1,%xmm6 ## xmm6=Geps mulss %xmm2,%xmm7 ## xmm7=Heps2 addss %xmm6,%xmm5 addss %xmm7,%xmm5 ## xmm5=Fp mulss %xmm1,%xmm5 ## xmm5=eps*Fp addss %xmm4,%xmm5 ## xmm5=VV movss nb230nf_c6(%esp),%xmm4 mulss %xmm4,%xmm5 ## Vvdw6 ## Update Vvdwtot directly addss nb230nf_Vvdwtot(%esp),%xmm5 movss %xmm5,nb230nf_Vvdwtot(%esp) ## repulsion movlps 16(%esi,%eax,4),%xmm5 movaps %xmm5,%xmm4 shufps $136,%xmm7,%xmm4 ## constant 10001000 shufps $221,%xmm7,%xmm5 ## constant 11011101 movlps 24(%esi,%eax,4),%xmm7 movaps %xmm7,%xmm6 shufps $136,%xmm3,%xmm6 ## constant 10001000 shufps $221,%xmm3,%xmm7 ## constant 11011101 ## table ready, in xmm4-xmm7 mulss %xmm1,%xmm6 ## xmm6=Geps mulss %xmm2,%xmm7 ## xmm7=Heps2 addss %xmm6,%xmm5 addss %xmm7,%xmm5 ## xmm5=Fp mulss %xmm1,%xmm5 ## xmm5=eps*Fp addss %xmm4,%xmm5 ## xmm5=VV movss nb230nf_c12(%esp),%xmm4 mulss %xmm4,%xmm5 ## Vvdw12 addss nb230nf_Vvdwtot(%esp),%xmm5 movss %xmm5,nb230nf_Vvdwtot(%esp)_nb_kernel230nf_ia32_sse.nb230nf_updateouterdata: ## get n from stack movl nb230nf_n(%esp),%esi ## get group index for i particle movl nb230nf_gid(%ebp),%edx ## base of gid[] movl (%edx,%esi,4),%edx ## ggid=gid[n] ## accumulate total potential energy and update it movaps nb230nf_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 nb230nf_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 nb230nf_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 nb230nf_Vvdw(%ebp),%eax addss (%eax,%edx,4),%xmm7 ## move back to mem movss %xmm7,(%eax,%edx,4) ## finish if last movl nb230nf_nn1(%esp),%ecx ## esi already loaded with n incl %esi subl %esi,%ecx jz _nb_kernel230nf_ia32_sse.nb230nf_outerend ## not last, iterate outer loop once more! movl %esi,nb230nf_n(%esp) jmp _nb_kernel230nf_ia32_sse.nb230nf_outer_nb_kernel230nf_ia32_sse.nb230nf_outerend: ## check if more outer neighborlists remain movl nb230nf_nri(%esp),%ecx ## esi already loaded with n above subl %esi,%ecx jz _nb_kernel230nf_ia32_sse.nb230nf_end ## non-zero, do one more workunit jmp _nb_kernel230nf_ia32_sse.nb230nf_threadloop_nb_kernel230nf_ia32_sse.nb230nf_end: emms movl nb230nf_nouter(%esp),%eax movl nb230nf_ninner(%esp),%ebx movl nb230nf_outeriter(%ebp),%ecx movl nb230nf_inneriter(%ebp),%edx movl %eax,(%ecx) movl %ebx,(%edx) movl nb230nf_salign(%esp),%eax addl %eax,%esp addl $304,%esp popl %edi popl %esi popl %edx popl %ecx popl %ebx popl %eax leave ret⌨️ 快捷键说明
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