nb_kernel330_ia32_sse.s
来自「最著名最快的分子模拟软件」· S 代码 · 共 2,062 行 · 第 1/5 页
S
2,062 行
mulps %xmm1,%xmm5 ## xmm5=eps*Fp addps %xmm4,%xmm5 ## xmm5=VV movaps nb330nf_c12(%esp),%xmm4 mulps %xmm4,%xmm5 ## Vvdw12 addps nb330nf_Vvdwtot(%esp),%xmm5 movaps %xmm5,nb330nf_Vvdwtot(%esp) ## should we do one more iteration? subl $4,nb330nf_innerk(%esp) jl _nb_kernel330nf_ia32_sse.nb330nf_finish_inner jmp _nb_kernel330nf_ia32_sse.nb330nf_unroll_loop_nb_kernel330nf_ia32_sse.nb330nf_finish_inner: ## check if at least two particles remain addl $4,nb330nf_innerk(%esp) movl nb330nf_innerk(%esp),%edx andl $2,%edx jnz _nb_kernel330nf_ia32_sse.nb330nf_dopair jmp _nb_kernel330nf_ia32_sse.nb330nf_checksingle_nb_kernel330nf_ia32_sse.nb330nf_dopair: movl nb330nf_charge(%ebp),%esi movl nb330nf_innerjjnr(%esp),%ecx movl (%ecx),%eax movl 4(%ecx),%ebx addl $8,nb330nf_innerjjnr(%esp) xorps %xmm7,%xmm7 movss (%esi,%eax,4),%xmm3 movss (%esi,%ebx,4),%xmm6 shufps $0,%xmm6,%xmm3 shufps $8,%xmm3,%xmm3 ## constant 00001000 ;# xmm3(0,1) has the charges mulps nb330nf_iq(%esp),%xmm3 movlhps %xmm7,%xmm3 movaps %xmm3,nb330nf_qq(%esp) movl nb330nf_type(%ebp),%esi movl %eax,%ecx movl %ebx,%edx movl (%esi,%ecx,4),%ecx movl (%esi,%edx,4),%edx movl nb330nf_vdwparam(%ebp),%esi shll %ecx shll %edx movl nb330nf_ntia(%esp),%edi addl %edi,%ecx addl %edi,%edx movlps (%esi,%ecx,4),%xmm6 movhps (%esi,%edx,4),%xmm6 movl nb330nf_pos(%ebp),%edi movaps %xmm6,%xmm4 shufps $8,%xmm4,%xmm4 ## constant 00001000 shufps $13,%xmm6,%xmm6 ## constant 00001101 movlhps %xmm7,%xmm4 movlhps %xmm7,%xmm6 movaps %xmm4,nb330nf_c6(%esp) movaps %xmm6,nb330nf_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 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 nb330nf_ix(%esp),%xmm4 movaps nb330nf_iy(%esp),%xmm5 movaps nb330nf_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 rsqrtps %xmm4,%xmm5 ## lookup seed in xmm5 movaps %xmm5,%xmm2 mulps %xmm5,%xmm5 movaps nb330nf_three(%esp),%xmm1 mulps %xmm4,%xmm5 ## rsq*lu*lu movaps nb330nf_half(%esp),%xmm0 subps %xmm5,%xmm1 ## constant 30-rsq*lu*lu mulps %xmm2,%xmm1 mulps %xmm1,%xmm0 ## xmm0=rinv mulps %xmm0,%xmm4 ## xmm4=r mulps nb330nf_tsc(%esp),%xmm4 cvttps2pi %xmm4,%mm6 ## mm6 contain lu indices cvtpi2ps %mm6,%xmm6 subps %xmm6,%xmm4 movaps %xmm4,%xmm1 ## xmm1=eps movaps %xmm1,%xmm2 mulps %xmm2,%xmm2 ## xmm2=eps2 pslld $2,%mm6 movl nb330nf_VFtab(%ebp),%esi movd %mm6,%ecx psrlq $32,%mm6 movd %mm6,%edx leal (%ecx,%ecx,2),%ecx leal (%edx,%edx,2),%edx movlps (%esi,%ecx,4),%xmm5 movhps (%esi,%edx,4),%xmm5 ## got half coulomb table movaps %xmm5,%xmm4 shufps $136,%xmm4,%xmm4 ## constant 10001000 shufps $221,%xmm7,%xmm5 ## constant 11011101 movlps 8(%esi,%ecx,4),%xmm7 movhps 8(%esi,%edx,4),%xmm7 movaps %xmm7,%xmm6 shufps $136,%xmm6,%xmm6 ## constant 10001000 shufps $221,%xmm7,%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 movaps nb330nf_qq(%esp),%xmm3 mulps %xmm1,%xmm5 ## xmm5=eps*Fp addps %xmm4,%xmm5 ## xmm5=VV mulps %xmm3,%xmm5 ## vcoul=qq*VV ## at this point mm5 contains vcoul ## increment vcoul - then we can get rid of mm5 ## update vctot addps nb330nf_vctot(%esp),%xmm5 movaps %xmm5,nb330nf_vctot(%esp) ## dispersion movlps 16(%esi,%ecx,4),%xmm5 movhps 16(%esi,%edx,4),%xmm5 ## got half dispersion table movaps %xmm5,%xmm4 shufps $136,%xmm4,%xmm4 ## constant 10001000 shufps $221,%xmm5,%xmm5 ## constant 11011101 movlps 24(%esi,%ecx,4),%xmm7 movhps 24(%esi,%edx,4),%xmm7 ## other half of dispersion table movaps %xmm7,%xmm6 shufps $136,%xmm6,%xmm6 ## constant 10001000 shufps $221,%xmm7,%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 nb330nf_c6(%esp),%xmm4 mulps %xmm4,%xmm5 ## Vvdw6 ## put scalar force on stack addps nb330nf_Vvdwtot(%esp),%xmm5 movaps %xmm5,nb330nf_Vvdwtot(%esp) ## repulsion movlps 32(%esi,%ecx,4),%xmm5 movhps 32(%esi,%edx,4),%xmm5 ## got half repulsion table movaps %xmm5,%xmm4 shufps $136,%xmm7,%xmm4 ## constant 10001000 shufps $221,%xmm7,%xmm5 ## constant 11011101 movlps 40(%esi,%ecx,4),%xmm7 movhps 40(%esi,%edx,4),%xmm7 ## other half of repulsion table 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 nb330nf_c12(%esp),%xmm4 mulps %xmm4,%xmm5 ## Vvdw12 addps nb330nf_Vvdwtot(%esp),%xmm5 movaps %xmm5,nb330nf_Vvdwtot(%esp)_nb_kernel330nf_ia32_sse.nb330nf_checksingle: movl nb330nf_innerk(%esp),%edx andl $1,%edx jnz _nb_kernel330nf_ia32_sse.nb330nf_dosingle jmp _nb_kernel330nf_ia32_sse.nb330nf_updateouterdata_nb_kernel330nf_ia32_sse.nb330nf_dosingle: movl nb330nf_charge(%ebp),%esi movl nb330nf_pos(%ebp),%edi movl nb330nf_innerjjnr(%esp),%ecx movl (%ecx),%eax xorps %xmm6,%xmm6 movss (%esi,%eax,4),%xmm6 ## xmm6(0) has the charge mulps nb330nf_iq(%esp),%xmm6 movaps %xmm6,nb330nf_qq(%esp) movl nb330nf_type(%ebp),%esi movl %eax,%ecx movl (%esi,%ecx,4),%ecx movl nb330nf_vdwparam(%ebp),%esi shll %ecx addl nb330nf_ntia(%esp),%ecx movlps (%esi,%ecx,4),%xmm6 movaps %xmm6,%xmm4 shufps $252,%xmm4,%xmm4 ## constant 11111100 shufps $253,%xmm6,%xmm6 ## constant 11111101 movaps %xmm4,nb330nf_c6(%esp) movaps %xmm6,nb330nf_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 movaps nb330nf_ix(%esp),%xmm4 movaps nb330nf_iy(%esp),%xmm5 movaps nb330nf_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 rsqrtps %xmm4,%xmm5 ## lookup seed in xmm5 movaps %xmm5,%xmm2 mulps %xmm5,%xmm5 movaps nb330nf_three(%esp),%xmm1 mulps %xmm4,%xmm5 ## rsq*lu*lu movaps nb330nf_half(%esp),%xmm0 subps %xmm5,%xmm1 ## constant 30-rsq*lu*lu mulps %xmm2,%xmm1 mulps %xmm1,%xmm0 ## xmm0=rinv mulps %xmm0,%xmm4 ## xmm4=r mulps nb330nf_tsc(%esp),%xmm4 cvttps2pi %xmm4,%mm6 ## mm6 contain lu indices cvtpi2ps %mm6,%xmm6 subps %xmm6,%xmm4 movaps %xmm4,%xmm1 ## xmm1=eps movaps %xmm1,%xmm2 mulps %xmm2,%xmm2 ## xmm2=eps2 pslld $2,%mm6 movl nb330nf_VFtab(%ebp),%esi movd %mm6,%ebx leal (%ebx,%ebx,2),%ebx movlps (%esi,%ebx,4),%xmm4 movlps 8(%esi,%ebx,4),%xmm6 movaps %xmm4,%xmm5 movaps %xmm6,%xmm7 shufps $1,%xmm5,%xmm5 shufps $1,%xmm7,%xmm7 ## table ready in xmm4-xmm7 mulps %xmm1,%xmm6 ## xmm6=Geps mulps %xmm2,%xmm7 ## xmm7=Heps2 addps %xmm6,%xmm5 addps %xmm7,%xmm5 ## xmm5=Fp movaps nb330nf_qq(%esp),%xmm3 mulps %xmm1,%xmm5 ## xmm5=eps*Fp addps %xmm4,%xmm5 ## xmm5=VV mulps %xmm3,%xmm5 ## vcoul=qq*VV ## at this point mm5 contains vcoul ## increment vcoul - then we can get rid of mm5 ## update vctot addss nb330nf_vctot(%esp),%xmm5 movss %xmm5,nb330nf_vctot(%esp) ## dispersion movlps 16(%esi,%ebx,4),%xmm4 movlps 24(%esi,%ebx,4),%xmm6 movaps %xmm4,%xmm5 movaps %xmm6,%xmm7 shufps $1,%xmm5,%xmm5 shufps $1,%xmm7,%xmm7 ## 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 nb330nf_c6(%esp),%xmm4 mulps %xmm4,%xmm5 ## Vvdw6 ## put scalar force on stack addss nb330nf_Vvdwtot(%esp),%xmm5 movss %xmm5,nb330nf_Vvdwtot(%esp) ## repulsion movlps 32(%esi,%ebx,4),%xmm4 movlps 40(%esi,%ebx,4),%xmm6 movaps %xmm4,%xmm5 movaps %xmm6,%xmm7 shufps $1,%xmm5,%xmm5 shufps $1,%xmm7,%xmm7 ## 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 nb330nf_c12(%esp),%xmm4 mulps %xmm4,%xmm5 ## Vvdw12 addss nb330nf_Vvdwtot(%esp),%xmm5 movss %xmm5,nb330nf_Vvdwtot(%esp)_nb_kernel330nf_ia32_sse.nb330nf_updateouterdata: ## get n from stack movl nb330nf_n(%esp),%esi ## get group index for i particle movl nb330nf_gid(%ebp),%edx ## base of gid[] movl (%edx,%esi,4),%edx ## ggid=gid[n] ## accumulate total potential energy and update it movaps nb330nf_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 nb330nf_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 nb330nf_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 nb330nf_Vvdw(%ebp),%eax addss (%eax,%edx,4),%xmm7 ## move back to mem movss %xmm7,(%eax,%edx,4) ## finish if last movl nb330nf_nn1(%esp),%ecx ## esi already loaded with n incl %esi subl %esi,%ecx jz _nb_kernel330nf_ia32_sse.nb330nf_outerend ## not last, iterate outer loop once more! movl %esi,nb330nf_n(%esp) jmp _nb_kernel330nf_ia32_sse.nb330nf_outer_nb_kernel330nf_ia32_sse.nb330nf_outerend: ## check if more outer neighborlists remain movl nb330nf_nri(%esp),%ecx ## esi already loaded with n above subl %esi,%ecx jz _nb_kernel330nf_ia32_sse.nb330nf_end ## non-zero, do one more workunit jmp _nb_kernel330nf_ia32_sse⌨️ 快捷键说明
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