nb_kernel304_ia32_sse.s
来自「最著名最快的分子模拟软件」· S 代码 · 共 1,976 行 · 第 1/5 页
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shufps $228,%xmm6,%xmm4 ## constant 11100100 ;# xmm4 = jyM 0 jyH1 jyH2 shufps $68,%xmm7,%xmm5 ## constant 01000100 ;# xmm5 = jzM 0 jzH1 jzH2 ## store all j coordinates in jM movaps %xmm3,nb304_jxM(%esp) movaps %xmm4,nb304_jyM(%esp) movaps %xmm5,nb304_jzM(%esp) subps %xmm3,%xmm0 subps %xmm4,%xmm1 subps %xmm5,%xmm2 movaps %xmm0,nb304_dxMM(%esp) movaps %xmm1,nb304_dyMM(%esp) movaps %xmm2,nb304_dzMM(%esp) mulps %xmm0,%xmm0 mulps %xmm1,%xmm1 mulps %xmm2,%xmm2 addps %xmm1,%xmm0 addps %xmm2,%xmm0 ## have rsq in xmm0 ## do invsqrt rsqrtps %xmm0,%xmm1 movaps %xmm1,%xmm2 mulps %xmm1,%xmm1 movaps nb304_three(%esp),%xmm3 mulps %xmm0,%xmm1 subps %xmm1,%xmm3 mulps %xmm2,%xmm3 mulps nb304_half(%esp),%xmm3 ## rinv iO - j water movaps %xmm3,%xmm1 mulps %xmm0,%xmm1 ## xmm1=r movaps %xmm3,%xmm0 ## xmm0=rinv mulps nb304_tsc(%esp),%xmm1 movhlps %xmm1,%xmm2 cvttps2pi %xmm1,%mm6 cvttps2pi %xmm2,%mm7 ## mm6/mm7 contain lu indices cvtpi2ps %mm6,%xmm3 cvtpi2ps %mm7,%xmm2 movlhps %xmm2,%xmm3 subps %xmm3,%xmm1 ## xmm1=eps movaps %xmm1,%xmm2 mulps %xmm2,%xmm2 ## xmm2=eps2 pslld $2,%mm6 pslld $2,%mm7 movd %mm6,%ebx movd %mm7,%ecx psrlq $32,%mm7 movd %mm7,%edx ## table indices in ebx,ecx,edx movl nb304_VFtab(%ebp),%esi movlps (%esi,%ebx,4),%xmm5 movlps (%esi,%ecx,4),%xmm7 movhps (%esi,%edx,4),%xmm7 ## got half coulomb table movaps %xmm5,%xmm4 shufps $136,%xmm7,%xmm4 ## constant 10001000 shufps $221,%xmm7,%xmm5 ## constant 11011101 movlps 8(%esi,%ebx,4),%xmm7 movlps 8(%esi,%ecx,4),%xmm3 movhps 8(%esi,%edx,4),%xmm3 ## other half of coulomb table movaps %xmm7,%xmm6 shufps $136,%xmm3,%xmm6 ## constant 10001000 shufps $221,%xmm3,%xmm7 ## constant 11011101 ## coulomb table ready, in xmm4-xmm7 mulps %xmm1,%xmm6 ## xmm6=Geps mulps %xmm2,%xmm7 ## xmm7=Heps2 addps %xmm6,%xmm5 addps %xmm7,%xmm5 ## xmm5=Fp mulps nb304_two(%esp),%xmm7 ## two*Heps2 xorps %xmm3,%xmm3 ## fetch charges to xmm3 (temporary) movss nb304_qqMM(%esp),%xmm3 movhps nb304_qqMH(%esp),%xmm3 addps %xmm6,%xmm7 addps %xmm5,%xmm7 ## xmm7=FF mulps %xmm1,%xmm5 ## xmm5=eps*Fp addps %xmm4,%xmm5 ## xmm5=VV mulps %xmm3,%xmm5 ## vcoul=qq*VV mulps %xmm7,%xmm3 ## fijC=FF*qq ## at this point xmm5 contains vcoul and xmm3 fijC addps nb304_vctot(%esp),%xmm5 movaps %xmm5,nb304_vctot(%esp) xorps %xmm2,%xmm2 mulps nb304_tsc(%esp),%xmm3 subps %xmm3,%xmm2 mulps %xmm2,%xmm0 movaps %xmm0,%xmm1 movaps %xmm0,%xmm2 mulps nb304_dxMM(%esp),%xmm0 mulps nb304_dyMM(%esp),%xmm1 mulps nb304_dzMM(%esp),%xmm2 ## initial update for j forces xorps %xmm3,%xmm3 xorps %xmm4,%xmm4 xorps %xmm5,%xmm5 subps %xmm0,%xmm3 subps %xmm1,%xmm4 subps %xmm2,%xmm5 movaps %xmm3,nb304_fjxM(%esp) movaps %xmm4,nb304_fjyM(%esp) movaps %xmm5,nb304_fjzM(%esp) addps nb304_fixM(%esp),%xmm0 addps nb304_fiyM(%esp),%xmm1 addps nb304_fizM(%esp),%xmm2 movaps %xmm0,nb304_fixM(%esp) movaps %xmm1,nb304_fiyM(%esp) movaps %xmm2,nb304_fizM(%esp) ## done with i M Now do i H1 & H2 simultaneously first get i particle coords: movaps nb304_ixH1(%esp),%xmm0 movaps nb304_iyH1(%esp),%xmm1 movaps nb304_izH1(%esp),%xmm2 movaps nb304_ixH2(%esp),%xmm3 movaps nb304_iyH2(%esp),%xmm4 movaps nb304_izH2(%esp),%xmm5 subps nb304_jxM(%esp),%xmm0 subps nb304_jyM(%esp),%xmm1 subps nb304_jzM(%esp),%xmm2 subps nb304_jxM(%esp),%xmm3 subps nb304_jyM(%esp),%xmm4 subps nb304_jzM(%esp),%xmm5 movaps %xmm0,nb304_dxH1M(%esp) movaps %xmm1,nb304_dyH1M(%esp) movaps %xmm2,nb304_dzH1M(%esp) movaps %xmm3,nb304_dxH2M(%esp) movaps %xmm4,nb304_dyH2M(%esp) movaps %xmm5,nb304_dzH2M(%esp) mulps %xmm0,%xmm0 mulps %xmm1,%xmm1 mulps %xmm2,%xmm2 mulps %xmm3,%xmm3 mulps %xmm4,%xmm4 mulps %xmm5,%xmm5 addps %xmm1,%xmm0 addps %xmm3,%xmm4 addps %xmm2,%xmm0 ## have rsqH1 in xmm0 addps %xmm5,%xmm4 ## have rsqH2 in xmm4 ## start with H1, save H2 data movaps %xmm4,nb304_rsqH2M(%esp) ## do invsqrt rsqrtps %xmm0,%xmm1 rsqrtps %xmm4,%xmm5 movaps %xmm1,%xmm2 movaps %xmm5,%xmm6 mulps %xmm1,%xmm1 mulps %xmm5,%xmm5 movaps nb304_three(%esp),%xmm3 movaps %xmm3,%xmm7 mulps %xmm0,%xmm1 mulps %xmm4,%xmm5 subps %xmm1,%xmm3 subps %xmm5,%xmm7 mulps %xmm2,%xmm3 mulps %xmm6,%xmm7 mulps nb304_half(%esp),%xmm3 ## rinv H1 - j water mulps nb304_half(%esp),%xmm7 ## rinv H2 - j water ## start with H1, save H2 data movaps %xmm7,nb304_rinvH2M(%esp) movaps %xmm3,%xmm1 mulps %xmm0,%xmm1 ## xmm1=r movaps %xmm3,%xmm0 ## xmm0=rinv mulps nb304_tsc(%esp),%xmm1 movhlps %xmm1,%xmm2 cvttps2pi %xmm1,%mm6 cvttps2pi %xmm2,%mm7 ## mm6/mm7 contain lu indices cvtpi2ps %mm6,%xmm3 cvtpi2ps %mm7,%xmm2 movlhps %xmm2,%xmm3 subps %xmm3,%xmm1 ## xmm1=eps movaps %xmm1,%xmm2 mulps %xmm2,%xmm2 ## xmm2=eps2 pslld $2,%mm6 pslld $2,%mm7 movd %mm6,%ebx movd %mm7,%ecx psrlq $32,%mm7 movd %mm7,%edx ## table indices in ebx,ecx,edx movlps (%esi,%ebx,4),%xmm5 movlps (%esi,%ecx,4),%xmm7 movhps (%esi,%edx,4),%xmm7 ## got half coulomb table movaps %xmm5,%xmm4 shufps $136,%xmm7,%xmm4 ## constant 10001000 shufps $221,%xmm7,%xmm5 ## constant 11011101 movlps 8(%esi,%ebx,4),%xmm7 movlps 8(%esi,%ecx,4),%xmm3 movhps 8(%esi,%edx,4),%xmm3 ## other half of coulomb table movaps %xmm7,%xmm6 shufps $136,%xmm3,%xmm6 ## constant 10001000 shufps $221,%xmm3,%xmm7 ## constant 11011101 ## coulomb table ready, in xmm4-xmm7 mulps %xmm1,%xmm6 ## xmm6=Geps mulps %xmm2,%xmm7 ## xmm7=Heps2 addps %xmm6,%xmm5 addps %xmm7,%xmm5 ## xmm5=Fp mulps nb304_two(%esp),%xmm7 ## two*Heps2 xorps %xmm3,%xmm3 ## fetch charges to xmm3 (temporary) movss nb304_qqMH(%esp),%xmm3 movhps nb304_qqHH(%esp),%xmm3 addps %xmm6,%xmm7 addps %xmm5,%xmm7 ## xmm7=FF mulps %xmm1,%xmm5 ## xmm5=eps*Fp addps %xmm4,%xmm5 ## xmm5=VV mulps %xmm3,%xmm5 ## vcoul=qq*VV mulps %xmm7,%xmm3 ## fijC=FF*qq ## at this point xmm5 contains vcoul and xmm3 fijC addps nb304_vctot(%esp),%xmm5 movaps %xmm5,nb304_vctot(%esp) xorps %xmm1,%xmm1 mulps nb304_tsc(%esp),%xmm3 mulps %xmm0,%xmm3 subps %xmm3,%xmm1 movaps %xmm1,%xmm0 movaps %xmm1,%xmm2 mulps nb304_dxH1M(%esp),%xmm0 mulps nb304_dyH1M(%esp),%xmm1 mulps nb304_dzH1M(%esp),%xmm2 ## update forces H1 - j water movaps nb304_fjxM(%esp),%xmm3 movaps nb304_fjyM(%esp),%xmm4 movaps nb304_fjzM(%esp),%xmm5 subps %xmm0,%xmm3 subps %xmm1,%xmm4 subps %xmm2,%xmm5 movaps %xmm3,nb304_fjxM(%esp) movaps %xmm4,nb304_fjyM(%esp) movaps %xmm5,nb304_fjzM(%esp) addps nb304_fixH1(%esp),%xmm0 addps nb304_fiyH1(%esp),%xmm1 addps nb304_fizH1(%esp),%xmm2 movaps %xmm0,nb304_fixH1(%esp) movaps %xmm1,nb304_fiyH1(%esp) movaps %xmm2,nb304_fizH1(%esp) ## do table for H2 - j water interaction movaps nb304_rinvH2M(%esp),%xmm0 movaps nb304_rsqH2M(%esp),%xmm1 mulps %xmm0,%xmm1 ## xmm0=rinv, xmm1=r mulps nb304_tsc(%esp),%xmm1 movhlps %xmm1,%xmm2 cvttps2pi %xmm1,%mm6 cvttps2pi %xmm2,%mm7 ## mm6/mm7 contain lu indices cvtpi2ps %mm6,%xmm3 cvtpi2ps %mm7,%xmm2 movlhps %xmm2,%xmm3 subps %xmm3,%xmm1 ## xmm1=eps movaps %xmm1,%xmm2 mulps %xmm2,%xmm2 ## xmm2=eps2 pslld $2,%mm6 pslld $2,%mm7 movd %mm6,%ebx movd %mm7,%ecx psrlq $32,%mm7 movd %mm7,%edx ## table indices in ebx,ecx,edx movlps (%esi,%ebx,4),%xmm5 movlps (%esi,%ecx,4),%xmm7 movhps (%esi,%edx,4),%xmm7 ## got half coulomb table movaps %xmm5,%xmm4 shufps $136,%xmm7,%xmm4 ## constant 10001000 shufps $221,%xmm7,%xmm5 ## constant 11011101 movlps 8(%esi,%ebx,4),%xmm7 movlps 8(%esi,%ecx,4),%xmm3 movhps 8(%esi,%edx,4),%xmm3 ## other half of coulomb table movaps %xmm7,%xmm6 shufps $136,%xmm3,%xmm6 ## constant 10001000 shufps $221,%xmm3,%xmm7 ## constant 11011101 ## coulomb table ready, in xmm4-xmm7 mulps %xmm1,%xmm6 ## xmm6=Geps mulps %xmm2,%xmm7 ## xmm7=Heps2 addps %xmm6,%xmm5 addps %xmm7,%xmm5 ## xmm5=Fp mulps nb304_two(%esp),%xmm7 ## two*Heps2 xorps %xmm3,%xmm3 ## fetch charges to xmm3 (temporary) movss nb304_qqMH(%esp),%xmm3 movhps nb304_qqHH(%esp),%xmm3 addps %xmm6,%xmm7 addps %xmm5,%xmm7 ## xmm7=FF mulps %xmm1,%xmm5 ## xmm5=eps*Fp addps %xmm4,%xmm5 ## xmm5=VV mulps %xmm3,%xmm5 ## vcoul=qq*VV mulps %xmm7,%xmm3 ## fijC=FF*qq ## at this point xmm5 contains vcoul and xmm3 fijC addps nb304_vctot(%esp),%xmm5 movaps %xmm5,nb304_vctot(%esp) xorps %xmm1,%xmm1 mulps nb304_tsc(%esp),%xmm3 mulps %xmm0,%xmm3 subps %xmm3,%xmm1 movaps %xmm1,%xmm0 movaps %xmm1,%xmm2 mulps nb304_dxH2M(%esp),%xmm0 mulps nb304_dyH2M(%esp),%xmm1 mulps nb304_dzH2M(%esp),%xmm2 movaps nb304_fjxM(%esp),%xmm3 movaps nb304_fjyM(%esp),%xmm4 movaps nb304_fjzM(%esp),%xmm5 subps %xmm0,%xmm3 subps %xmm1,%xmm4 subps %xmm2,%xmm5 movl nb304_faction(%ebp),%esi movaps %xmm3,nb304_fjxM(%esp) movaps %xmm4,nb304_fjyM(%esp) movaps %xmm5,nb304_fjzM(%esp) addps nb304_fixH2(%esp),%xmm0 addps nb304_fiyH2(%esp),%xmm1 addps nb304_fizH2(%esp),%xmm2 movaps %xmm0,nb304_fixH2(%esp) movaps %xmm1,nb304_fiyH2(%esp) movaps %xmm2,nb304_fizH2(%esp) ## update j water forces from local variables movlps 36(%esi,%eax,4),%xmm0 movlps 12(%esi,%eax,4),%xmm1 movhps 24(%esi,%eax,4),%xmm1 movaps nb304_fjxM(%esp),%xmm3 movaps nb304_fjyM(%esp),%xmm4 movaps nb304_fjzM(%esp),%xmm5 movaps %xmm5,%xmm6 movaps %xmm5,%xmm7 shufps $2,%xmm6,%xmm6 ## constant 00000010 shufps $3,%xmm7,%xmm7 ## constant 00000011 addss 44(%esi,%eax,4),%xmm5 addss 20(%esi,%eax,4),%xmm6 addss 32(%esi,%eax,4),%xmm7 movss %xmm5,44(%esi,%eax,4) movss %xmm6,20(%esi,%eax,4) movss %xmm7,32(%esi,%eax,4) movaps %xmm3,%xmm5 unpcklps %xmm4,%xmm3 unpckhps %xmm4,%xmm5 addps %xmm3,%xmm0 addps %xmm5,%xmm1 movlps %xmm0,36(%esi,%eax,4) movlps %xmm1,12(%esi,%eax,4) movhps %xmm1,24(%esi,%eax,4) decl nb304_innerk(%esp) jz _nb_kernel304_ia32_sse.nb304_updateouterdata jmp _nb_kernel304_ia32_sse.nb304_single_loop_nb_kernel304_ia32_sse.nb304_updateouterdata: movl nb304_ii3(%esp),%ecx movl nb304_faction(%ebp),%edi movl nb304_fshift(%ebp),%esi movl nb304_is3(%esp),%edx ## accumulate H1 i forces in xmm0, xmm1, xmm2 movaps nb304_fixH1(%esp),%xmm0 movaps nb304_fiyH1(%esp),%xmm1 movaps nb304_fizH1(%esp),%xmm2 movhlps %xmm0,%xmm3 movhlps %xmm1,%xmm4 movhlps %xmm2,%xmm5 addps %xmm3,%xmm0 addps %xmm4,%xmm1 addps %xmm5,%xmm2 ## sum is in 1/2 in xmm0-xmm2 ⌨️ 快捷键说明
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