nb_kernel234_x86_64_sse.s
来自「最著名最快的分子模拟软件」· S 代码 · 共 2,177 行 · 第 1/5 页
S
2,177 行
movlps (%rsi,%rax,4),%xmm0 ## jxOa jyOa - - movlps (%rsi,%rcx,4),%xmm1 ## jxOc jyOc - - movhps (%rsi,%rbx,4),%xmm0 ## jxOa jyOa jxOb jyOb movhps (%rsi,%rdx,4),%xmm1 ## jxOc jyOc jxOd jyOd movss 8(%rsi,%rax,4),%xmm2 ## jzOa - - - movss 8(%rsi,%rcx,4),%xmm3 ## jzOc - - - movhps 8(%rsi,%rbx,4),%xmm2 ## jzOa - jzOb - movhps 8(%rsi,%rdx,4),%xmm3 ## jzOc - jzOd - movaps %xmm0,%xmm4 unpcklps %xmm1,%xmm0 ## jxOa jxOc jyOa jyOc unpckhps %xmm1,%xmm4 ## jxOb jxOd jyOb jyOd movaps %xmm0,%xmm1 unpcklps %xmm4,%xmm0 ## x unpckhps %xmm4,%xmm1 ## y shufps $136,%xmm3,%xmm2 ## 10001000 => jzOa jzOb jzOc jzOd ## xmm0 = Ox ## xmm1 = Oy ## xmm2 = Oz subps nb234_ixO(%rsp),%xmm0 subps nb234_iyO(%rsp),%xmm1 subps nb234_izO(%rsp),%xmm2 ## store dx/dy/dz movaps %xmm0,%xmm13 movaps %xmm1,%xmm14 movaps %xmm2,%xmm15 ## square it mulps %xmm0,%xmm0 mulps %xmm1,%xmm1 mulps %xmm2,%xmm2 addps %xmm0,%xmm1 addps %xmm2,%xmm1 ## rsq in xmm1 ## calculate rinv=1/sqrt(rsq) rsqrtps %xmm1,%xmm5 movaps %xmm5,%xmm2 mulps %xmm5,%xmm5 movaps nb234_three(%rsp),%xmm4 mulps %xmm1,%xmm5 ## rsq*lu*lu subps %xmm5,%xmm4 ## 30-rsq*lu*lu mulps %xmm2,%xmm4 mulps nb234_half(%rsp),%xmm4 movaps %xmm4,%xmm2 mulps %xmm4,%xmm1 ## xmm2=rinv ## xmm1=r mulps nb234_tsc(%rsp),%xmm1 ## rtab ## truncate and convert to integers cvttps2dq %xmm1,%xmm5 ## convert back to float cvtdq2ps %xmm5,%xmm4 ## multiply by 8 pslld $3,%xmm5 ## calculate eps subps %xmm4,%xmm1 ## move to integer registers movhlps %xmm5,%xmm6 movd %xmm5,%r8d movd %xmm6,%r10d pshufd $1,%xmm5,%xmm5 pshufd $1,%xmm6,%xmm6 movd %xmm5,%r9d movd %xmm6,%r11d ## table indices in r8-r11 ## xmm1=eps ## xmm2=rinv movq nb234_VFtab(%rbp),%rsi ## load LJ dispersion and repulsion in parallel movlps (%rsi,%r8,4),%xmm5 movlps 16(%rsi,%r8,4),%xmm9 movlps (%rsi,%r10,4),%xmm7 movlps 16(%rsi,%r10,4),%xmm11 movhps (%rsi,%r9,4),%xmm5 movhps 16(%rsi,%r9,4),%xmm9 movhps (%rsi,%r11,4),%xmm7 movhps 16(%rsi,%r11,4),%xmm11 movaps %xmm5,%xmm4 movaps %xmm9,%xmm8 shufps $136,%xmm7,%xmm4 ## 10001000 shufps $136,%xmm11,%xmm8 ## 10001000 shufps $221,%xmm7,%xmm5 ## 11011101 shufps $221,%xmm11,%xmm9 ## 11011101 movlps 8(%rsi,%r8,4),%xmm7 movlps 24(%rsi,%r8,4),%xmm11 movlps 8(%rsi,%r10,4),%xmm0 movlps 24(%rsi,%r10,4),%xmm3 movhps 8(%rsi,%r9,4),%xmm7 movhps 24(%rsi,%r9,4),%xmm11 movhps 8(%rsi,%r11,4),%xmm0 movhps 24(%rsi,%r11,4),%xmm3 movaps %xmm7,%xmm6 movaps %xmm11,%xmm10 shufps $136,%xmm0,%xmm6 ## 10001000 shufps $136,%xmm3,%xmm10 ## 10001000 shufps $221,%xmm0,%xmm7 ## 11011101 shufps $221,%xmm3,%xmm11 ## 11011101 ## dispersion table in xmm4-xmm7, repulsion table in xmm8-xmm11 mulps %xmm1,%xmm7 ## Heps mulps %xmm1,%xmm11 mulps %xmm1,%xmm6 ## Geps mulps %xmm1,%xmm10 mulps %xmm1,%xmm7 ## Heps2 mulps %xmm1,%xmm11 addps %xmm6,%xmm5 ## F+Geps addps %xmm10,%xmm9 addps %xmm7,%xmm5 ## F+Geps+Heps2 = Fp addps %xmm11,%xmm9 addps %xmm7,%xmm7 ## 2*Heps2 addps %xmm11,%xmm11 addps %xmm6,%xmm7 ## 2*Heps2+Geps addps %xmm10,%xmm11 addps %xmm5,%xmm7 ## FF = Fp + 2*Heps2 + Geps addps %xmm9,%xmm11 mulps %xmm1,%xmm5 ## eps*Fp mulps %xmm1,%xmm9 addps %xmm4,%xmm5 ## VV addps %xmm8,%xmm9 mulps nb234_c6(%rsp),%xmm5 ## VV*c6 = vnb6 mulps nb234_c12(%rsp),%xmm9 ## VV*c12 = vnb12 addps %xmm9,%xmm5 addps nb234_Vvdwtot(%rsp),%xmm5 movaps %xmm5,nb234_Vvdwtot(%rsp) mulps nb234_c6(%rsp),%xmm7 ## FF*c6 = fnb6 mulps nb234_c12(%rsp),%xmm11 ## FF*c12 = fnb12 addps %xmm11,%xmm7 mulps nb234_tsc(%rsp),%xmm7 mulps %xmm2,%xmm7 xorps %xmm9,%xmm9 subps %xmm7,%xmm9 ## fx/fy/fz mulps %xmm9,%xmm13 mulps %xmm9,%xmm14 mulps %xmm9,%xmm15 ## increment i force movaps nb234_fixO(%rsp),%xmm0 movaps nb234_fiyO(%rsp),%xmm1 movaps nb234_fizO(%rsp),%xmm2 addps %xmm13,%xmm0 addps %xmm14,%xmm1 addps %xmm15,%xmm2 movaps %xmm0,nb234_fixO(%rsp) movaps %xmm1,nb234_fiyO(%rsp) movaps %xmm2,nb234_fizO(%rsp) ## move j O forces to local temp variables movq nb234_faction(%rbp),%rdi movlps (%rdi,%rax,4),%xmm4 ## jxOa jyOa - - movlps (%rdi,%rcx,4),%xmm5 ## jxOc jyOc - - movhps (%rdi,%rbx,4),%xmm4 ## jxOa jyOa jxOb jyOb movhps (%rdi,%rdx,4),%xmm5 ## jxOc jyOc jxOd jyOd movss 8(%rdi,%rax,4),%xmm6 ## jzOa - - - movss 8(%rdi,%rcx,4),%xmm7 ## jzOc - - - movhps 8(%rdi,%rbx,4),%xmm6 ## jzOa - jzOb - movhps 8(%rdi,%rdx,4),%xmm7 ## jzOc - jzOd - shufps $136,%xmm7,%xmm6 ## 10001000 => jzOa jzOb jzOc jzOd ## xmm4: jxOa jyOa jxOb jyOb ## xmm5: jxOc jyOc jxOd jyOd ## xmm6: jzOa jzOb jzOc jzOd ## update O forces movaps %xmm13,%xmm12 unpcklps %xmm14,%xmm13 ## (local) fjx1 fjx1 fjy1 fjy2 unpckhps %xmm14,%xmm12 ## (local) fjx3 fjx4 fjy3 fjy4 addps %xmm13,%xmm4 addps %xmm12,%xmm5 addps %xmm15,%xmm6 movhlps %xmm6,%xmm7 ## fH1zc fH1zd movlps %xmm4,(%rdi,%rax,4) movhps %xmm4,(%rdi,%rbx,4) movlps %xmm5,(%rdi,%rcx,4) movhps %xmm5,(%rdi,%rdx,4) movss %xmm6,8(%rdi,%rax,4) movss %xmm7,8(%rdi,%rcx,4) shufps $1,%xmm6,%xmm6 shufps $1,%xmm7,%xmm7 movss %xmm6,8(%rdi,%rbx,4) movss %xmm7,8(%rdi,%rdx,4) ## done with OO interaction ## move j H1 coordinates to local temp variables movq nb234_pos(%rbp),%rsi ## base of pos[] movlps 12(%rsi,%rax,4),%xmm0 ## jxH1a jyH1a - - movlps 12(%rsi,%rcx,4),%xmm1 ## jxH1c jyH1c - - movhps 12(%rsi,%rbx,4),%xmm0 ## jxH1a jyH1a jxH1b jyH1b movhps 12(%rsi,%rdx,4),%xmm1 ## jxH1c jyH1c jxH1d jyH1d movss 20(%rsi,%rax,4),%xmm2 ## jzH1a - - - movss 20(%rsi,%rcx,4),%xmm3 ## jzH1c - - - movhps 20(%rsi,%rbx,4),%xmm2 ## jzH1a - jzH1b - movhps 20(%rsi,%rdx,4),%xmm3 ## jzH1c - jzH1d - movaps %xmm0,%xmm4 unpcklps %xmm1,%xmm0 ## jxH1a jxH1c jyH1a jyH1c unpckhps %xmm1,%xmm4 ## jxH1b jxH1d jyH1b jyH1d movaps %xmm0,%xmm1 unpcklps %xmm4,%xmm0 ## x unpckhps %xmm4,%xmm1 ## y shufps $136,%xmm3,%xmm2 ## 10001000 => jzH1a jzH1b jzH1c jzH1d ## xmm0 = H1x ## xmm1 = H1y ## xmm2 = H1z movaps %xmm0,%xmm3 movaps %xmm1,%xmm4 movaps %xmm2,%xmm5 movaps %xmm0,%xmm6 movaps %xmm1,%xmm7 movaps %xmm2,%xmm8 subps nb234_ixH1(%rsp),%xmm0 subps nb234_iyH1(%rsp),%xmm1 subps nb234_izH1(%rsp),%xmm2 subps nb234_ixH2(%rsp),%xmm3 subps nb234_iyH2(%rsp),%xmm4 subps nb234_izH2(%rsp),%xmm5 subps nb234_ixM(%rsp),%xmm6 subps nb234_iyM(%rsp),%xmm7 subps nb234_izM(%rsp),%xmm8 movaps %xmm0,nb234_dxH1H1(%rsp) movaps %xmm1,nb234_dyH1H1(%rsp) movaps %xmm2,nb234_dzH1H1(%rsp) mulps %xmm0,%xmm0 mulps %xmm1,%xmm1 mulps %xmm2,%xmm2 movaps %xmm3,nb234_dxH2H1(%rsp) movaps %xmm4,nb234_dyH2H1(%rsp) movaps %xmm5,nb234_dzH2H1(%rsp) mulps %xmm3,%xmm3 mulps %xmm4,%xmm4 mulps %xmm5,%xmm5 movaps %xmm6,nb234_dxMH1(%rsp) movaps %xmm7,nb234_dyMH1(%rsp) movaps %xmm8,nb234_dzMH1(%rsp) mulps %xmm6,%xmm6 mulps %xmm7,%xmm7 mulps %xmm8,%xmm8 addps %xmm1,%xmm0 addps %xmm2,%xmm0 addps %xmm4,%xmm3 addps %xmm5,%xmm3 addps %xmm7,%xmm6 addps %xmm8,%xmm6 ## start doing invsqrt for jH1 atoms rsqrtps %xmm0,%xmm1 rsqrtps %xmm3,%xmm4 rsqrtps %xmm6,%xmm7 movaps %xmm1,%xmm2 movaps %xmm4,%xmm5 movaps %xmm7,%xmm8 mulps %xmm1,%xmm1 ## lu*lu mulps %xmm4,%xmm4 ## lu*lu mulps %xmm7,%xmm7 ## lu*lu movaps nb234_three(%rsp),%xmm9 movaps %xmm9,%xmm10 movaps %xmm9,%xmm11 mulps %xmm0,%xmm1 ## rsq*lu*lu mulps %xmm3,%xmm4 ## rsq*lu*lu mulps %xmm6,%xmm7 ## rsq*lu*lu subps %xmm1,%xmm9 subps %xmm4,%xmm10 subps %xmm7,%xmm11 ## 3-rsq*lu*lu mulps %xmm2,%xmm9 mulps %xmm5,%xmm10 mulps %xmm8,%xmm11 ## lu*(3-rsq*lu*lu) movaps nb234_half(%rsp),%xmm4 mulps %xmm4,%xmm9 ## rinvH1H1 mulps %xmm4,%xmm10 ## rinvH2H1 mulps %xmm4,%xmm11 ## rinvMH1 ## H1 interactions ## rsq in xmm0,xmm3,xmm6 ## rinv in xmm9, xmm10, xmm11 movaps %xmm9,%xmm1 ## copy of rinv movaps %xmm10,%xmm4 movaps %xmm11,%xmm7 movaps nb234_krf(%rsp),%xmm2 mulps %xmm9,%xmm9 ## rinvsq mulps %xmm10,%xmm10 mulps %xmm11,%xmm11 mulps %xmm2,%xmm0 ## k*rsq mulps %xmm2,%xmm3 mulps %xmm2,%xmm6 movaps %xmm0,%xmm2 ## copy of k*rsq movaps %xmm3,%xmm5 movaps %xmm6,%xmm8 addps %xmm1,%xmm2 ## rinv+krsq addps %xmm4,%xmm5 addps %xmm7,%xmm8 movaps nb234_crf(%rsp),%xmm14 subps %xmm14,%xmm2 ## rinv+krsq-crf subps %xmm14,%xmm5 subps %xmm14,%xmm8 movaps nb234_qqHH(%rsp),%xmm12 movaps nb234_qqMH(%rsp),%xmm13 mulps %xmm12,%xmm2 ## voul=qq*(rinv+ krsq-crf) mulps %xmm12,%xmm5 ## voul=qq*(rinv+ krsq-crf) mulps %xmm13,%xmm8 ## voul=qq*(rinv+ krsq-crf) addps %xmm0,%xmm0 ## 2*krsq addps %xmm3,%xmm3 addps %xmm6,%xmm6 subps %xmm0,%xmm1 ## rinv-2*krsq subps %xmm3,%xmm4 subps %xmm6,%xmm7 mulps %xmm12,%xmm1 ## (rinv-2*krsq)*qq mulps %xmm12,%xmm4 mulps %xmm13,%xmm7 addps nb234_vctot(%rsp),%xmm2 addps %xmm8,%xmm5 addps %xmm5,%xmm2 movaps %xmm2,%xmm15 mulps %xmm9,%xmm1 ## fscal mulps %xmm10,%xmm4 mulps %xmm11,%xmm7 ## move j H1 forces to local temp variables movq nb234_faction(%rbp),%rdi movlps 12(%rdi,%rax,4),%xmm9 ## jxH1a jyH1a - - movlps 12(%rdi,%rcx,4),%xmm10 ## jxH1c jyH1c - - movhps 12(%rdi,%rbx,4),%xmm9 ## jxH1a jyH1a jxH1b jyH1b movhps 12(%rdi,%rdx,4),%xmm10 ## jxH1c jyH1c jxH1d jyH1d movss 20(%rdi,%rax,4),%xmm11 ## jzH1a - - - movss 20(%rdi,%rcx,4),%xmm12 ## jzH1c - - - movhps 20(%rdi,%rbx,4),%xmm11 ## jzH1a - jzH1b - movhps 20(%rdi,%rdx,4),%xmm12 ## jzH1c - jzH1d - shufps $136,%xmm12,%xmm11 ## 10001000 => jzH1a jzH1b jzH1c jzH1d ## xmm9: jxH1a jyH1a jxH1b jyH1b ## xmm10: jxH1c jyH1c jxH1d jyH1d ## xmm11: jzH1a jzH1b jzH1c jzH1d movaps %xmm1,%xmm0 movaps %xmm1,%xmm2 movaps %xmm4,%xmm3 movaps %xmm4,%xmm5 movaps %xmm7,%xmm6 movaps %xmm7,%xmm8 mulps nb234_dxH1H1(%rsp),%xmm0 mulps nb234_dyH1H1(%rsp),%xmm1 mulps nb234_dzH1H1(%rsp),%xmm2 mulps nb234_dxH2H1(%rsp),%xmm3 mulps nb234_dyH2H1(%rsp),%xmm4 mulps nb234_dzH2H1(%rsp),%xmm5 mulps nb234_dxMH1(%rsp),%xmm6 mulps nb234_dyMH1(%rsp),%xmm7 mulps nb234_dzMH1(%rsp),%xmm8 movaps %xmm0,%xmm13 movaps %xmm1,%xmm14 addps %xmm2,%xmm11 addps nb234_fixH1(%rsp),%xmm0 addps nb234_fiyH1(%rsp),%xmm1 addps nb234_fizH1(%rsp),%xmm2 addps %xmm3,%xmm13 addps %xmm4,%xmm14 addps %xmm5,%xmm11 addps nb234_fixH2(%rsp),%xmm3 addps nb234_fiyH2(%rsp),%xmm4 addps nb234_fizH2(%rsp),%xmm5 addps %xmm6,%xmm13 addps %xmm7,%xmm14 addps %xmm8,%xmm11 addps nb234_fixM(%rsp),%xmm6 addps nb234_fiyM(%rsp),%xmm7 addps nb234_fizM(%rsp),%xmm8 movaps %xmm0,nb234_fixH1(%rsp) movaps %xmm1,nb234_fiyH1(%rsp) movaps %xmm2,nb234_fizH1(%rsp) movaps %xmm3,nb234_fixH2(%rsp) movaps %xmm4,nb234_fiyH2(%rsp) movaps %xmm5,nb234_fizH2(%rsp) movaps %xmm6,nb234_fixM(%rsp) movaps %xmm7,nb234_fiyM(%rsp) movaps %xmm8,nb234_fizM(%rsp) ## xmm9 = fH1x ## xmm10 = fH1y ## xmm11 = fH1z movaps %xmm13,%xmm0 unpcklps %xmm14,%xmm13 unpckhps %xmm14,%xmm0 addps %xmm13,%xmm9 addps %xmm0,%xmm10⌨️ 快捷键说明
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