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
subps %xmm6,%xmm4 movaps %xmm4,%xmm1 ## xmm1=eps movaps %xmm1,%xmm2 mulps %xmm2,%xmm2 ## xmm2=eps2 pslld $3,%mm6 pslld $3,%mm7 movd %eax,%mm0 movd %ebx,%mm1 movd %ecx,%mm2 movd %edx,%mm3 movl nb230_VFtab(%ebp),%esi movd %mm6,%eax psrlq $32,%mm6 movd %mm7,%ecx psrlq $32,%mm7 movd %mm6,%ebx movd %mm7,%edx ## dispersion movlps (%esi,%eax,4),%xmm5 movlps (%esi,%ecx,4),%xmm7 movhps (%esi,%ebx,4),%xmm5 movhps (%esi,%edx,4),%xmm7 ## got half dispersion table movaps %xmm5,%xmm4 shufps $136,%xmm7,%xmm4 ## constant 10001000 shufps $221,%xmm7,%xmm5 ## constant 11011101 movlps 8(%esi,%eax,4),%xmm7 movlps 8(%esi,%ecx,4),%xmm3 movhps 8(%esi,%ebx,4),%xmm7 movhps 8(%esi,%edx,4),%xmm3 ## other half of dispersion table 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 nb230_two(%esp),%xmm7 ## two*Heps2 addps %xmm6,%xmm7 addps %xmm5,%xmm7 ## xmm7=FF mulps %xmm1,%xmm5 ## xmm5=eps*Fp addps %xmm4,%xmm5 ## xmm5=VV movaps nb230_c6(%esp),%xmm4 mulps %xmm4,%xmm7 ## fijD mulps %xmm4,%xmm5 ## Vvdw6 movaps nb230_fstmp(%esp),%xmm3 mulps nb230_tsc(%esp),%xmm7 subps %xmm7,%xmm3 ## put scalar force on stack Update Vvdwtot directly addps nb230_Vvdwtot(%esp),%xmm5 movaps %xmm3,nb230_fstmp(%esp) movaps %xmm5,nb230_Vvdwtot(%esp) ## repulsion movlps 16(%esi,%eax,4),%xmm5 movlps 16(%esi,%ecx,4),%xmm7 movhps 16(%esi,%ebx,4),%xmm5 movhps 16(%esi,%edx,4),%xmm7 ## got half repulsion table movaps %xmm5,%xmm4 shufps $136,%xmm7,%xmm4 ## constant 10001000 shufps $221,%xmm7,%xmm5 ## constant 11011101 movlps 24(%esi,%eax,4),%xmm7 movlps 24(%esi,%ecx,4),%xmm3 movhps 24(%esi,%ebx,4),%xmm7 movhps 24(%esi,%edx,4),%xmm3 ## 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 nb230_two(%esp),%xmm7 ## two*Heps2 addps %xmm6,%xmm7 addps %xmm5,%xmm7 ## xmm7=FF mulps %xmm1,%xmm5 ## xmm5=eps*Fp addps %xmm4,%xmm5 ## xmm5=VV movaps nb230_c12(%esp),%xmm4 mulps %xmm4,%xmm7 ## fijR mulps %xmm4,%xmm5 ## Vvdw12 movaps nb230_fstmp(%esp),%xmm3 mulps nb230_tsc(%esp),%xmm7 subps %xmm7,%xmm3 addps nb230_Vvdwtot(%esp),%xmm5 movaps %xmm5,nb230_Vvdwtot(%esp) xorps %xmm4,%xmm4 mulps %xmm0,%xmm3 movd %mm0,%eax movd %mm1,%ebx movd %mm2,%ecx movd %mm3,%edx movaps nb230_dx(%esp),%xmm0 movaps nb230_dy(%esp),%xmm1 movaps nb230_dz(%esp),%xmm2 movl nb230_faction(%ebp),%edi mulps %xmm3,%xmm0 mulps %xmm3,%xmm1 mulps %xmm3,%xmm2 ## xmm0-xmm2 contains tx-tz (partial force) ## now update f_i movaps nb230_fix(%esp),%xmm3 movaps nb230_fiy(%esp),%xmm4 movaps nb230_fiz(%esp),%xmm5 addps %xmm0,%xmm3 addps %xmm1,%xmm4 addps %xmm2,%xmm5 movaps %xmm3,nb230_fix(%esp) movaps %xmm4,nb230_fiy(%esp) movaps %xmm5,nb230_fiz(%esp) ## the fj's - start by accumulating x & y forces from memory movlps (%edi,%eax,4),%xmm4 movlps (%edi,%ecx,4),%xmm6 movhps (%edi,%ebx,4),%xmm4 movhps (%edi,%edx,4),%xmm6 movaps %xmm4,%xmm3 shufps $136,%xmm6,%xmm3 ## constant 10001000 shufps $221,%xmm6,%xmm4 ## constant 11011101 ## now xmm3-xmm5 contains fjx, fjy, fjz subps %xmm0,%xmm3 subps %xmm1,%xmm4 ## unpack them back so we can store them - first x & y in xmm3/xmm4 movaps %xmm3,%xmm6 unpcklps %xmm4,%xmm6 unpckhps %xmm4,%xmm3 ## xmm6(l)=x & y for j1, (h) for j2 ## xmm3(l)=x & y for j3, (h) for j4 movlps %xmm6,(%edi,%eax,4) movlps %xmm3,(%edi,%ecx,4) movhps %xmm6,(%edi,%ebx,4) movhps %xmm3,(%edi,%edx,4) ## and the z forces movss 8(%edi,%eax,4),%xmm4 movss 8(%edi,%ebx,4),%xmm5 movss 8(%edi,%ecx,4),%xmm6 movss 8(%edi,%edx,4),%xmm7 subss %xmm2,%xmm4 shufps $229,%xmm2,%xmm2 ## constant 11100101 subss %xmm2,%xmm5 shufps $234,%xmm2,%xmm2 ## constant 11101010 subss %xmm2,%xmm6 shufps $255,%xmm2,%xmm2 ## constant 11111111 subss %xmm2,%xmm7 movss %xmm4,8(%edi,%eax,4) movss %xmm5,8(%edi,%ebx,4) movss %xmm6,8(%edi,%ecx,4) movss %xmm7,8(%edi,%edx,4) ## should we do one more iteration? subl $4,nb230_innerk(%esp) jl _nb_kernel230_ia32_sse.nb230_finish_inner jmp _nb_kernel230_ia32_sse.nb230_unroll_loop_nb_kernel230_ia32_sse.nb230_finish_inner: ## check if at least two particles remain addl $4,nb230_innerk(%esp) movl nb230_innerk(%esp),%edx andl $2,%edx jnz _nb_kernel230_ia32_sse.nb230_dopair jmp _nb_kernel230_ia32_sse.nb230_checksingle_nb_kernel230_ia32_sse.nb230_dopair: movl nb230_charge(%ebp),%esi movl nb230_innerjjnr(%esp),%ecx movl (%ecx),%eax movl 4(%ecx),%ebx addl $8,nb230_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 nb230_type(%ebp),%esi movl %eax,%ecx movl %ebx,%edx movl (%esi,%ecx,4),%ecx movl (%esi,%edx,4),%edx movl nb230_vdwparam(%ebp),%esi shll %ecx shll %edx movl nb230_ntia(%esp),%edi addl %edi,%ecx addl %edi,%edx movlps (%esi,%ecx,4),%xmm6 movhps (%esi,%edx,4),%xmm6 movl nb230_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,nb230_c6(%esp) movaps %xmm6,nb230_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 nb230_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 movl nb230_faction(%ebp),%edi ## move ix-iz to xmm4-xmm6 xorps %xmm7,%xmm7 movaps nb230_ix(%esp),%xmm4 movaps nb230_iy(%esp),%xmm5 movaps nb230_iz(%esp),%xmm6 ## calc dr subps %xmm0,%xmm4 subps %xmm1,%xmm5 subps %xmm2,%xmm6 ## store dr movaps %xmm4,nb230_dx(%esp) movaps %xmm5,nb230_dy(%esp) movaps %xmm6,nb230_dz(%esp) ## square it mulps %xmm4,%xmm4 mulps %xmm5,%xmm5 mulps %xmm6,%xmm6 addps %xmm5,%xmm4 addps %xmm6,%xmm4 ## rsq in xmm4 movaps nb230_krf(%esp),%xmm7 rsqrtps %xmm4,%xmm5 ## lookup seed in xmm5 movaps %xmm5,%xmm2 mulps %xmm5,%xmm5 movaps nb230_three(%esp),%xmm1 mulps %xmm4,%xmm5 ## rsq*lu*lu movaps nb230_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 nb230_crf(%esp),%xmm6 mulps %xmm3,%xmm6 ## xmm6=vcoul=qq*(rinv+ krsq-crf) mulps nb230_two(%esp),%xmm7 ## 2*krsq addps nb230_vctot(%esp),%xmm6 movaps %xmm6,nb230_vctot(%esp) subps %xmm7,%xmm0 ## rinv-2*krsq mulps %xmm3,%xmm0 ## qq*(rinv-2*krsq) mulps %xmm1,%xmm0 ## qq*(rinv-2*krsq)*rinv movaps %xmm0,nb230_fstmp(%esp) ## LJ table mulps %xmm1,%xmm4 ## r mulps nb230_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 movd %eax,%mm0 movd %ebx,%mm1 movl nb230_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 nb230_two(%esp),%xmm7 ## two*Heps2 addps %xmm6,%xmm7 addps %xmm5,%xmm7 ## xmm7=FF mulps %xmm1,%xmm5 ## xmm5=eps*Fp addps %xmm4,%xmm5 ## xmm5=VV movaps nb230_c6(%esp),%xmm4 mulps %xmm4,%xmm7 ## fijD mulps %xmm4,%xmm5 ## Vvdw6 movaps nb230_fstmp(%esp),%xmm3 mulps nb230_tsc(%esp),%xmm7 subps %xmm7,%xmm3 ## put scalar force on stack Update Vvdwtot directly addps nb230_Vvdwtot(%esp),%xmm5 movaps %xmm3,nb230_fstmp(%esp) movaps %xmm5,nb230_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 nb230_two(%esp),%xmm7 ## two*Heps2 addps %xmm6,%xmm7 addps %xmm5,%xmm7 ## xmm7=FF mulps %xmm1,%xmm5 ## xmm5=eps*Fp addps %xmm4,%xmm5 ## xmm5=VV movaps nb230_c12(%esp),%xmm4 mulps %xmm4,%xmm7 ## fijR mulps %xmm4,%xmm5 ## Vvdw12 movaps nb230_fstmp(%esp),%xmm3 mulps nb230_tsc(%esp),%xmm7 subps %xmm7,%xmm3 addps nb230_Vvdwtot(%esp),%xmm5 movaps %xmm5,nb230_Vvdwtot(%esp) xorps %xmm4,%xmm4 mulps %xmm0,%xmm3 movd %mm0,%eax movd %mm1,%ebx movaps nb230_dx(%esp),%xmm0 movaps nb230_dy(%esp),%xmm1 movaps nb230_dz(%esp),%xmm2 mulps %xmm3,%xmm0 mulps %xmm3,%xmm1 mulps %xmm3,%xmm2 ## xmm0-xmm2 contains tx-tz (partial force) ## now update f_i movaps nb230_fix(%esp),%xmm3 movaps nb230_fiy(%esp),%xmm4 movaps nb230_fiz(%esp),%xmm5 addps %xmm0,%xmm3 addps %xmm1,%xmm4 addps %xmm2,%xmm5 movaps %xmm3,nb230_fix(%esp) movaps %xmm4,nb230_fiy(%esp) movaps %xmm5,nb230_fiz(%esp) ## 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