nb_kernel111_x86_64_sse2.s
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#### $Id: nb_kernel111_x86_64_sse2.s,v 1.4.2.3 2006/09/22 08:40:32 lindahl Exp $#### Gromacs 4.0 Copyright (c) 1991-2003 ## David van der Spoel, Erik Lindahl#### This program is free software; you can redistribute it and/or## modify it under the terms of the GNU General Public License## as published by the Free Software Foundation; either version 2## of the License, or (at your option) any later version.#### To help us fund GROMACS development, we humbly ask that you cite## the research papers on the package. Check out http://www.gromacs.org## ## And Hey:## Gnomes, ROck Monsters And Chili Sauce##.globl nb_kernel111_x86_64_sse2.globl _nb_kernel111_x86_64_sse2nb_kernel111_x86_64_sse2: _nb_kernel111_x86_64_sse2: ## Room for return address and rbp (16 bytes).set nb111_fshift, 16.set nb111_gid, 24.set nb111_pos, 32.set nb111_faction, 40.set nb111_charge, 48.set nb111_p_facel, 56.set nb111_argkrf, 64.set nb111_argcrf, 72.set nb111_Vc, 80.set nb111_type, 88.set nb111_p_ntype, 96.set nb111_vdwparam, 104.set nb111_Vvdw, 112.set nb111_p_tabscale, 120.set nb111_VFtab, 128.set nb111_invsqrta, 136.set nb111_dvda, 144.set nb111_p_gbtabscale, 152.set nb111_GBtab, 160.set nb111_p_nthreads, 168.set nb111_count, 176.set nb111_mtx, 184.set nb111_outeriter, 192.set nb111_inneriter, 200.set nb111_work, 208 ## stack offsets for local variables ## bottom of stack is cache-aligned for sse2 use .set nb111_ixO, 0.set nb111_iyO, 16.set nb111_izO, 32.set nb111_ixH1, 48.set nb111_iyH1, 64.set nb111_izH1, 80.set nb111_ixH2, 96.set nb111_iyH2, 112.set nb111_izH2, 128.set nb111_iqO, 144.set nb111_iqH, 160.set nb111_dxO, 176.set nb111_dyO, 192.set nb111_dzO, 208.set nb111_dxH1, 224.set nb111_dyH1, 240.set nb111_dzH1, 256.set nb111_dxH2, 272.set nb111_dyH2, 288.set nb111_dzH2, 304.set nb111_qqO, 320.set nb111_qqH, 336.set nb111_c6, 352.set nb111_c12, 368.set nb111_six, 384.set nb111_twelve, 400.set nb111_vctot, 416.set nb111_Vvdwtot, 432.set nb111_fixO, 448.set nb111_fiyO, 464.set nb111_fizO, 480.set nb111_fixH1, 496.set nb111_fiyH1, 512.set nb111_fizH1, 528.set nb111_fixH2, 544.set nb111_fiyH2, 560.set nb111_fizH2, 576.set nb111_fjx, 592.set nb111_fjy, 608.set nb111_fjz, 624.set nb111_half, 640.set nb111_three, 656.set nb111_is3, 672.set nb111_ii3, 676.set nb111_nri, 692.set nb111_iinr, 700.set nb111_jindex, 708.set nb111_jjnr, 716.set nb111_shift, 724.set nb111_shiftvec, 732.set nb111_facel, 740.set nb111_innerjjnr, 748.set nb111_ntia, 756.set nb111_innerk, 760.set nb111_n, 764.set nb111_nn1, 768.set nb111_nouter, 772.set nb111_ninner, 776 push %rbp movq %rsp,%rbp push %rbx emms push %r12 push %r13 push %r14 push %r15 subq $792,%rsp ## local variable stack space (n*16+8) ## zero 32-bit iteration counters movl $0,%eax movl %eax,nb111_nouter(%rsp) movl %eax,nb111_ninner(%rsp) movl (%rdi),%edi movl %edi,nb111_nri(%rsp) movq %rsi,nb111_iinr(%rsp) movq %rdx,nb111_jindex(%rsp) movq %rcx,nb111_jjnr(%rsp) movq %r8,nb111_shift(%rsp) movq %r9,nb111_shiftvec(%rsp) movq nb111_p_facel(%rbp),%rsi movsd (%rsi),%xmm0 movsd %xmm0,nb111_facel(%rsp) ## create constant floating-point factors on stack movl $0x00000000,%eax ## lower half of double half IEEE (hex) movl $0x3fe00000,%ebx movl %eax,nb111_half(%rsp) movl %ebx,nb111_half+4(%rsp) movsd nb111_half(%rsp),%xmm1 shufpd $0,%xmm1,%xmm1 ## splat to all elements movapd %xmm1,%xmm3 addpd %xmm3,%xmm3 ## one movapd %xmm3,%xmm2 addpd %xmm2,%xmm2 ## two addpd %xmm2,%xmm3 ## three movapd %xmm3,%xmm4 addpd %xmm4,%xmm4 ## six movapd %xmm4,%xmm5 addpd %xmm5,%xmm5 ## twelve movapd %xmm1,nb111_half(%rsp) movapd %xmm3,nb111_three(%rsp) movapd %xmm4,nb111_six(%rsp) movapd %xmm5,nb111_twelve(%rsp) ## assume we have at least one i particle - start directly movq nb111_iinr(%rsp),%rcx ## rcx = pointer into iinr[] movl (%rcx),%ebx ## ebx =ii movq nb111_charge(%rbp),%rdx movsd (%rdx,%rbx,8),%xmm3 movsd 8(%rdx,%rbx,8),%xmm4 movq nb111_p_facel(%rbp),%rsi movsd (%rsi),%xmm0 movsd nb111_facel(%rsp),%xmm5 mulsd %xmm5,%xmm3 mulsd %xmm5,%xmm4 shufpd $0,%xmm3,%xmm3 shufpd $0,%xmm4,%xmm4 movapd %xmm3,nb111_iqO(%rsp) movapd %xmm4,nb111_iqH(%rsp) movq nb111_type(%rbp),%rdx movl (%rdx,%rbx,4),%ecx shll %ecx movq nb111_p_ntype(%rbp),%rdi imull (%rdi),%ecx ## rcx = ntia = 2*ntype*type[ii0] movl %ecx,nb111_ntia(%rsp)_nb_kernel111_x86_64_sse2.nb111_threadloop: movq nb111_count(%rbp),%rsi ## pointer to sync counter movl (%rsi),%eax_nb_kernel111_x86_64_sse2.nb111_spinlock: movl %eax,%ebx ## ebx=*count=nn0 addl $1,%ebx ## ebx=nn1=nn0+10 lock cmpxchgl %ebx,(%rsi) ## write nn1 to *counter, ## if it hasnt changed. ## or reread *counter to eax. pause ## -> better p4 performance jnz _nb_kernel111_x86_64_sse2.nb111_spinlock ## if(nn1>nri) nn1=nri movl nb111_nri(%rsp),%ecx movl %ecx,%edx subl %ebx,%ecx cmovlel %edx,%ebx ## if(nn1>nri) nn1=nri ## Cleared the spinlock if we got here. ## eax contains nn0, ebx contains nn1. movl %eax,nb111_n(%rsp) movl %ebx,nb111_nn1(%rsp) subl %eax,%ebx ## calc number of outer lists movl %eax,%esi ## copy n to esi jg _nb_kernel111_x86_64_sse2.nb111_outerstart jmp _nb_kernel111_x86_64_sse2.nb111_end_nb_kernel111_x86_64_sse2.nb111_outerstart: ## ebx contains number of outer iterations addl nb111_nouter(%rsp),%ebx movl %ebx,nb111_nouter(%rsp)_nb_kernel111_x86_64_sse2.nb111_outer: movq nb111_shift(%rsp),%rax ## rax = pointer into shift[] movl (%rax,%rsi,4),%ebx ## rbx=shift[n] lea (%rbx,%rbx,2),%rbx ## rbx=3*is movl %ebx,nb111_is3(%rsp) ## store is3 movq nb111_shiftvec(%rsp),%rax ## rax = base of shiftvec[] movsd (%rax,%rbx,8),%xmm0 movsd 8(%rax,%rbx,8),%xmm1 movsd 16(%rax,%rbx,8),%xmm2 movq nb111_iinr(%rsp),%rcx ## rcx = pointer into iinr[] movl (%rcx,%rsi,4),%ebx ## ebx =ii movapd %xmm0,%xmm3 movapd %xmm1,%xmm4 movapd %xmm2,%xmm5 lea (%rbx,%rbx,2),%rbx ## rbx = 3*ii=ii3 movq nb111_pos(%rbp),%rax ## rax = base of pos[] movl %ebx,nb111_ii3(%rsp) addsd (%rax,%rbx,8),%xmm3 addsd 8(%rax,%rbx,8),%xmm4 addsd 16(%rax,%rbx,8),%xmm5 shufpd $0,%xmm3,%xmm3 shufpd $0,%xmm4,%xmm4 shufpd $0,%xmm5,%xmm5 movapd %xmm3,nb111_ixO(%rsp) movapd %xmm4,nb111_iyO(%rsp) movapd %xmm5,nb111_izO(%rsp) movsd %xmm0,%xmm3 movsd %xmm1,%xmm4 movsd %xmm2,%xmm5 addsd 24(%rax,%rbx,8),%xmm0 addsd 32(%rax,%rbx,8),%xmm1 addsd 40(%rax,%rbx,8),%xmm2 addsd 48(%rax,%rbx,8),%xmm3 addsd 56(%rax,%rbx,8),%xmm4 addsd 64(%rax,%rbx,8),%xmm5 shufpd $0,%xmm0,%xmm0 shufpd $0,%xmm1,%xmm1 shufpd $0,%xmm2,%xmm2 shufpd $0,%xmm3,%xmm3 shufpd $0,%xmm4,%xmm4 shufpd $0,%xmm5,%xmm5 movapd %xmm0,nb111_ixH1(%rsp) movapd %xmm1,nb111_iyH1(%rsp) movapd %xmm2,nb111_izH1(%rsp) movapd %xmm3,nb111_ixH2(%rsp) movapd %xmm4,nb111_iyH2(%rsp) movapd %xmm5,nb111_izH2(%rsp) ## clear vctot and i forces xorpd %xmm4,%xmm4 movapd %xmm4,nb111_vctot(%rsp) movapd %xmm4,nb111_Vvdwtot(%rsp) movapd %xmm4,nb111_fixO(%rsp) movapd %xmm4,nb111_fiyO(%rsp) movapd %xmm4,nb111_fizO(%rsp) movapd %xmm4,nb111_fixH1(%rsp) movapd %xmm4,nb111_fiyH1(%rsp) movapd %xmm4,nb111_fizH1(%rsp) movapd %xmm4,nb111_fixH2(%rsp) movapd %xmm4,nb111_fiyH2(%rsp) movapd %xmm4,nb111_fizH2(%rsp) movq nb111_jindex(%rsp),%rax movl (%rax,%rsi,4),%ecx ## jindex[n] movl 4(%rax,%rsi,4),%edx ## jindex[n+1] subl %ecx,%edx ## number of innerloop atoms movq nb111_pos(%rbp),%rsi movq nb111_faction(%rbp),%rdi movq nb111_jjnr(%rsp),%rax shll $2,%ecx addq %rcx,%rax movq %rax,nb111_innerjjnr(%rsp) ## pointer to jjnr[nj0] movl %edx,%ecx subl $2,%edx addl nb111_ninner(%rsp),%ecx movl %ecx,nb111_ninner(%rsp) addl $0,%edx movl %edx,nb111_innerk(%rsp) ## number of innerloop atoms jge _nb_kernel111_x86_64_sse2.nb111_unroll_loop jmp _nb_kernel111_x86_64_sse2.nb111_checksingle_nb_kernel111_x86_64_sse2.nb111_unroll_loop: ## twice unrolled innerloop here movq nb111_innerjjnr(%rsp),%rdx ## pointer to jjnr[k] movl (%rdx),%eax movl 4(%rdx),%ebx addq $8,nb111_innerjjnr(%rsp) ## advance pointer (unrolled 2) movq nb111_charge(%rbp),%rsi ## base of charge[] movlpd (%rsi,%rax,8),%xmm3 movhpd (%rsi,%rbx,8),%xmm3 movapd %xmm3,%xmm4 mulpd nb111_iqO(%rsp),%xmm3 mulpd nb111_iqH(%rsp),%xmm4 movapd %xmm3,nb111_qqO(%rsp) movapd %xmm4,nb111_qqH(%rsp) movq nb111_type(%rbp),%rsi movl (%rsi,%rax,4),%r8d movl (%rsi,%rbx,4),%r9d movq nb111_vdwparam(%rbp),%rsi shll %r8d shll %r9d movl nb111_ntia(%rsp),%edi addl %edi,%r8d addl %edi,%r9d movlpd (%rsi,%r8,8),%xmm6 ## c6a movlpd (%rsi,%r9,8),%xmm7 ## c6b movhpd 8(%rsi,%r8,8),%xmm6 ## c6a c12a movhpd 8(%rsi,%r9,8),%xmm7 ## c6b c12b movapd %xmm6,%xmm4 unpcklpd %xmm7,%xmm4 unpckhpd %xmm7,%xmm6 movapd %xmm4,nb111_c6(%rsp) movapd %xmm6,nb111_c12(%rsp) movq nb111_pos(%rbp),%rsi ## base of pos[] lea (%rax,%rax,2),%rax ## replace jnr with j3 lea (%rbx,%rbx,2),%rbx ## move j coordinates to local temp variables movlpd (%rsi,%rax,8),%xmm0 movlpd 8(%rsi,%rax,8),%xmm1 movlpd 16(%rsi,%rax,8),%xmm2 movhpd (%rsi,%rbx,8),%xmm0 movhpd 8(%rsi,%rbx,8),%xmm1 movhpd 16(%rsi,%rbx,8),%xmm2 ## xmm0 = jx ## xmm1 = jy ## xmm2 = jz movapd %xmm0,%xmm3 movapd %xmm1,%xmm4 movapd %xmm2,%xmm5 movapd %xmm0,%xmm6 movapd %xmm1,%xmm7 movapd %xmm2,%xmm8 subpd nb111_ixO(%rsp),%xmm0 subpd nb111_iyO(%rsp),%xmm1 subpd nb111_izO(%rsp),%xmm2 subpd nb111_ixH1(%rsp),%xmm3 subpd nb111_iyH1(%rsp),%xmm4 subpd nb111_izH1(%rsp),%xmm5 subpd nb111_ixH2(%rsp),%xmm6 subpd nb111_iyH2(%rsp),%xmm7 subpd nb111_izH2(%rsp),%xmm8 movapd %xmm0,nb111_dxO(%rsp) movapd %xmm1,nb111_dyO(%rsp) movapd %xmm2,nb111_dzO(%rsp) mulpd %xmm0,%xmm0 mulpd %xmm1,%xmm1 mulpd %xmm2,%xmm2 movapd %xmm3,nb111_dxH1(%rsp) movapd %xmm4,nb111_dyH1(%rsp) movapd %xmm5,nb111_dzH1(%rsp) mulpd %xmm3,%xmm3 mulpd %xmm4,%xmm4 mulpd %xmm5,%xmm5 movapd %xmm6,nb111_dxH2(%rsp) movapd %xmm7,nb111_dyH2(%rsp) movapd %xmm8,nb111_dzH2(%rsp) mulpd %xmm6,%xmm6 mulpd %xmm7,%xmm7 mulpd %xmm8,%xmm8 addpd %xmm1,%xmm0 addpd %xmm2,%xmm0 addpd %xmm4,%xmm3 addpd %xmm5,%xmm3 addpd %xmm7,%xmm6 addpd %xmm8,%xmm6 ## start doing invsqrt for j atoms cvtpd2ps %xmm0,%xmm1 cvtpd2ps %xmm3,%xmm4 cvtpd2ps %xmm6,%xmm7 rsqrtps %xmm1,%xmm1 rsqrtps %xmm4,%xmm4 rsqrtps %xmm7,%xmm7 cvtps2pd %xmm1,%xmm1 cvtps2pd %xmm4,%xmm4 cvtps2pd %xmm7,%xmm7 movapd %xmm1,%xmm2 movapd %xmm4,%xmm5 movapd %xmm7,%xmm8 mulpd %xmm1,%xmm1 ## lu*lu mulpd %xmm4,%xmm4 ## lu*lu mulpd %xmm7,%xmm7 ## lu*lu movapd nb111_three(%rsp),%xmm9 movapd %xmm9,%xmm10 movapd %xmm9,%xmm11 mulpd %xmm0,%xmm1 ## rsq*lu*lu mulpd %xmm3,%xmm4 ## rsq*lu*lu mulpd %xmm6,%xmm7 ## rsq*lu*lu subpd %xmm1,%xmm9 subpd %xmm4,%xmm10 subpd %xmm7,%xmm11 ## 3-rsq*lu*lu mulpd %xmm2,%xmm9 mulpd %xmm5,%xmm10 mulpd %xmm8,%xmm11 ## lu*(3-rsq*lu*lu) movapd nb111_half(%rsp),%xmm15 mulpd %xmm15,%xmm9 ## first iteration for rinvO mulpd %xmm15,%xmm10 ## first iteration for rinvH1 mulpd %xmm15,%xmm11 ## first iteration for rinvH2 ## second iteration step ⌨️ 快捷键说明
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