Loop Id: 88 | Module: exec | Source: ljForce.c:187-216 [...] | Coverage: 0.33% |
---|
Loop Id: 88 | Module: exec | Source: ljForce.c:187-216 [...] | Coverage: 0.33% |
---|
0x40b0c0 LEA 0x1(%RBX),%RAX |
0x40b0c4 CMP %R9,%RBX |
0x40b0c7 MOV %RAX,%RBX |
0x40b0ca JE 40b060 |
0x40b0cc LEA (%RBX,%RDI,1),%RSI |
0x40b0d0 LEA (%RSI,%RSI,2),%RCX |
0x40b0d4 LEA (%R14,%RCX,8),%RAX |
0x40b0d8 MOV %R15,%R13 |
0x40b0db MOV %RDX,%R12 |
0x40b0de JMP 40b0e9 |
(89) 0x40b0e0 ADD $0x18,%R13 |
(89) 0x40b0e4 DEC %R12 |
(89) 0x40b0e7 JE 40b0c0 |
(89) 0x40b0e9 VMOVUPD (%RAX),%XMM11 |
(89) 0x40b0ed VSUBPD -0x10(%R13),%XMM11,%XMM11 |
(89) 0x40b0f3 VMULPD %XMM11,%XMM11,%XMM12 |
(89) 0x40b0f8 VSHUFPD $0x1,%XMM12,%XMM12,%XMM13 |
(89) 0x40b0fe VADDSD %XMM12,%XMM13,%XMM13 |
(89) 0x40b103 VMOVSD 0x10(%RAX),%XMM12 |
(89) 0x40b108 VSUBSD (%R13),%XMM12,%XMM12 |
(89) 0x40b10e VFMADD231SD %XMM12,%XMM12,%XMM13 |
(89) 0x40b113 VUCOMISD %XMM2,%XMM13 |
(89) 0x40b117 JA 40b0e0 |
(89) 0x40b119 VUCOMISD %XMM4,%XMM13 |
(89) 0x40b11d JBE 40b0e0 |
(89) 0x40b11f VDIVSD %XMM13,%XMM6,%XMM13 |
(89) 0x40b124 VMULSD %XMM13,%XMM13,%XMM14 |
(89) 0x40b129 VMULSD %XMM1,%XMM13,%XMM15 |
(89) 0x40b12d VMULSD %XMM15,%XMM14,%XMM14 |
(89) 0x40b132 VADDSD %XMM7,%XMM14,%XMM15 |
(89) 0x40b136 VFNMADD213SD %XMM0,%XMM14,%XMM15 |
(89) 0x40b13b VMULSD %XMM8,%XMM15,%XMM15 |
(89) 0x40b140 MOV 0x30(%R11),%R8 |
(89) 0x40b144 VADDSD (%R8,%RSI,8),%XMM15,%XMM16 |
(89) 0x40b14b VMOVSD %XMM16,(%R8,%RSI,8) |
(89) 0x40b152 VMOVAPD %XMM9,%XMM16 |
(89) 0x40b158 VFMADD213SD %XMM10,%XMM14,%XMM16 |
(89) 0x40b15e VMULSD %XMM3,%XMM13,%XMM13 |
(89) 0x40b162 VMULSD %XMM14,%XMM16,%XMM14 |
(89) 0x40b168 VMULSD %XMM13,%XMM14,%XMM13 |
(89) 0x40b16d MOV 0x28(%R11),%R8 |
(89) 0x40b171 VMOVDDUP %XMM13,%XMM14 |
(89) 0x40b176 VFMADD213PD (%R8,%RCX,8),%XMM14,%XMM11 |
(89) 0x40b17c VMOVUPD %XMM11,(%R8,%RCX,8) |
(89) 0x40b182 VFMADD213SD 0x10(%R8,%RCX,8),%XMM13,%XMM12 |
(89) 0x40b189 VMOVSD %XMM12,0x10(%R8,%RCX,8) |
(89) 0x40b190 VADDSD %XMM5,%XMM15,%XMM5 |
(89) 0x40b194 JMP 40b0e0 |
/scratch_na/users/xoserete/qaas_runs/171-419-7821/intel/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c: 187 - 216 |
-------------------------------------------------------------------------------- |
187: for (int iOff=MAXATOMS*iBox; iOff<(iBox*MAXATOMS+nIBox); iOff++) |
188: { |
189: |
190: // loop over atoms in jBox |
191: for (int jOff=jBox*MAXATOMS; jOff<(jBox*MAXATOMS+nJBox); jOff++) |
[...] |
197: dr[m] = s->atoms->r[iOff][m]-s->atoms->r[jOff][m]; |
198: r2+=dr[m]*dr[m]; |
199: } |
200: |
201: if ( r2 <= rCut2 && r2 > 0.0) |
202: { |
203: |
204: // Important note: |
205: // from this point on r actually refers to 1.0/r |
206: r2 = 1.0/r2; |
207: real_t r6 = s6 * (r2*r2*r2); |
208: real_t eLocal = r6 * (r6 - 1.0) - eShift; |
209: s->atoms->U[iOff] += 0.5*eLocal; |
210: ePot += 0.5*eLocal; |
211: |
212: // different formulation to avoid sqrt computation |
213: real_t fr = - 4.0*epsilon*r6*r2*(12.0*r6 - 6.0); |
214: for (int m=0; m<3; m++) |
215: { |
216: s->atoms->f[iOff][m] -= dr[m]*fr; |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►100.00+ | __kmp_invoke_microtask | libiomp5.so | |
○ | __kmp_invoke_task_func | libiomp5.so |
Path / |
Metric | Value |
---|---|
CQA speedup if no scalar integer | 1.00 |
CQA speedup if FP arith vectorized | 1.00 |
CQA speedup if fully vectorized | 8.00 |
CQA speedup if no inter-iteration dependency | NA |
CQA speedup if next bottleneck killed | 3.33 |
Bottlenecks | micro-operation queue, |
Function | ljForce.extracted |
Source | ljForce.c:187-187,ljForce.c:197-197 |
Source loop unroll info | NA |
Source loop unroll confidence level | NA |
Unroll/vectorization loop type | NA |
Unroll factor | NA |
CQA cycles | 1.67 |
CQA cycles if no scalar integer | 1.67 |
CQA cycles if FP arith vectorized | 1.67 |
CQA cycles if fully vectorized | 0.21 |
Front-end cycles | 1.67 |
DIV/SQRT cycles | 0.50 |
P0 cycles | 0.40 |
P1 cycles | 0.00 |
P2 cycles | 0.00 |
P3 cycles | 0.00 |
P4 cycles | 0.40 |
P5 cycles | 0.50 |
P6 cycles | 0.00 |
P7 cycles | 0.00 |
P8 cycles | 0.00 |
P9 cycles | 0.20 |
P10 cycles | 0.00 |
P11 cycles | 0.00 |
Inter-iter dependencies cycles | 0 |
FE+BE cycles (UFS) | 1.71 |
Stall cycles (UFS) | 0.00 |
Nb insns | 10.00 |
Nb uops | 10.00 |
Nb loads | 0.00 |
Nb stores | 0.00 |
Nb stack references | 0.00 |
FLOP/cycle | 0.00 |
Nb FLOP add-sub | 0.00 |
Nb FLOP mul | 0.00 |
Nb FLOP fma | 0.00 |
Nb FLOP div | 0.00 |
Nb FLOP rcp | 0.00 |
Nb FLOP sqrt | 0.00 |
Nb FLOP rsqrt | 0.00 |
Bytes/cycle | 0.00 |
Bytes prefetched | 0.00 |
Bytes loaded | 0.00 |
Bytes stored | 0.00 |
Stride 0 | 0.00 |
Stride 1 | 0.00 |
Stride n | 1.00 |
Stride unknown | 1.00 |
Stride indirect | 0.00 |
Vectorization ratio all | 0.00 |
Vectorization ratio load | NA |
Vectorization ratio store | NA |
Vectorization ratio mul | NA |
Vectorization ratio add_sub | NA |
Vectorization ratio fma | NA |
Vectorization ratio div_sqrt | NA |
Vectorization ratio other | 0.00 |
Vector-efficiency ratio all | 12.50 |
Vector-efficiency ratio load | NA |
Vector-efficiency ratio store | NA |
Vector-efficiency ratio mul | NA |
Vector-efficiency ratio add_sub | NA |
Vector-efficiency ratio fma | NA |
Vector-efficiency ratio div_sqrt | NA |
Vector-efficiency ratio other | 12.50 |
Metric | Value |
---|---|
CQA speedup if no scalar integer | 1.00 |
CQA speedup if FP arith vectorized | 1.00 |
CQA speedup if fully vectorized | 8.00 |
CQA speedup if no inter-iteration dependency | NA |
CQA speedup if next bottleneck killed | 3.33 |
Bottlenecks | micro-operation queue, |
Function | ljForce.extracted |
Source | ljForce.c:187-187,ljForce.c:197-197 |
Source loop unroll info | NA |
Source loop unroll confidence level | NA |
Unroll/vectorization loop type | NA |
Unroll factor | NA |
CQA cycles | 1.67 |
CQA cycles if no scalar integer | 1.67 |
CQA cycles if FP arith vectorized | 1.67 |
CQA cycles if fully vectorized | 0.21 |
Front-end cycles | 1.67 |
DIV/SQRT cycles | 0.50 |
P0 cycles | 0.40 |
P1 cycles | 0.00 |
P2 cycles | 0.00 |
P3 cycles | 0.00 |
P4 cycles | 0.40 |
P5 cycles | 0.50 |
P6 cycles | 0.00 |
P7 cycles | 0.00 |
P8 cycles | 0.00 |
P9 cycles | 0.20 |
P10 cycles | 0.00 |
P11 cycles | 0.00 |
Inter-iter dependencies cycles | 0 |
FE+BE cycles (UFS) | 1.71 |
Stall cycles (UFS) | 0.00 |
Nb insns | 10.00 |
Nb uops | 10.00 |
Nb loads | 0.00 |
Nb stores | 0.00 |
Nb stack references | 0.00 |
FLOP/cycle | 0.00 |
Nb FLOP add-sub | 0.00 |
Nb FLOP mul | 0.00 |
Nb FLOP fma | 0.00 |
Nb FLOP div | 0.00 |
Nb FLOP rcp | 0.00 |
Nb FLOP sqrt | 0.00 |
Nb FLOP rsqrt | 0.00 |
Bytes/cycle | 0.00 |
Bytes prefetched | 0.00 |
Bytes loaded | 0.00 |
Bytes stored | 0.00 |
Stride 0 | 0.00 |
Stride 1 | 0.00 |
Stride n | 1.00 |
Stride unknown | 1.00 |
Stride indirect | 0.00 |
Vectorization ratio all | 0.00 |
Vectorization ratio load | NA |
Vectorization ratio store | NA |
Vectorization ratio mul | NA |
Vectorization ratio add_sub | NA |
Vectorization ratio fma | NA |
Vectorization ratio div_sqrt | NA |
Vectorization ratio other | 0.00 |
Vector-efficiency ratio all | 12.50 |
Vector-efficiency ratio load | NA |
Vector-efficiency ratio store | NA |
Vector-efficiency ratio mul | NA |
Vector-efficiency ratio add_sub | NA |
Vector-efficiency ratio fma | NA |
Vector-efficiency ratio div_sqrt | NA |
Vector-efficiency ratio other | 12.50 |
Path / |
Function | ljForce.extracted |
Source file and lines | ljForce.c:187-216 |
Module | exec |
nb instructions | 10 |
nb uops | 10 |
loop length | 32 |
used x86 registers | 11 |
used mmx registers | 0 |
used xmm registers | 0 |
used ymm registers | 0 |
used zmm registers | 0 |
nb stack references | 0 |
micro-operation queue | 1.67 cycles |
front end | 1.67 cycles |
P0 | P1 | P2 | P3 | P4 | P5 | P6 | P7 | P8 | P9 | P10 | P11 | |
---|---|---|---|---|---|---|---|---|---|---|---|---|
uops | 0.50 | 0.40 | 0.00 | 0.00 | 0.00 | 0.40 | 0.50 | 0.00 | 0.00 | 0.00 | 0.20 | 0.00 |
cycles | 0.50 | 0.40 | 0.00 | 0.00 | 0.00 | 0.40 | 0.50 | 0.00 | 0.00 | 0.00 | 0.20 | 0.00 |
Cycles executing div or sqrt instructions | NA |
Longest recurrence chain latency (RecMII) | 0.00 |
FE+BE cycles | 1.71 |
Stall cycles | 0.00 |
Front-end | 1.67 |
Dispatch | 0.50 |
Data deps. | 0.00 |
Overall L1 | 1.67 |
all | 0% |
load | NA (no load vectorizable/vectorized instructions) |
store | NA (no store vectorizable/vectorized instructions) |
mul | NA (no mul vectorizable/vectorized instructions) |
add-sub | NA (no add-sub vectorizable/vectorized instructions) |
fma | NA (no fma vectorizable/vectorized instructions) |
div/sqrt | NA (no div/sqrt vectorizable/vectorized instructions) |
other | 0% |
all | 12% |
load | NA (no load vectorizable/vectorized instructions) |
store | NA (no store vectorizable/vectorized instructions) |
mul | NA (no mul vectorizable/vectorized instructions) |
add-sub | NA (no add-sub vectorizable/vectorized instructions) |
fma | NA (no fma vectorizable/vectorized instructions) |
div/sqrt | NA (no div/sqrt vectorizable/vectorized instructions) |
other | 12% |
Instruction | Nb FU | P0 | P1 | P2 | P3 | P4 | P5 | P6 | P7 | P8 | P9 | P10 | P11 | Latency | Recip. throughput |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
LEA 0x1(%RBX),%RAX | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 |
CMP %R9,%RBX | 1 | 0.20 | 0.20 | 0 | 0 | 0 | 0.20 | 0.20 | 0 | 0 | 0 | 0.20 | 0 | 1 | 0.20 |
MOV %RAX,%RBX | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.17 |
JE 40b060 <ljForce.extracted+0x1c0> | 1 | 0.50 | 0 | 0 | 0 | 0 | 0 | 0.50 | 0 | 0 | 0 | 0 | 0 | 0 | 0.50 |
LEA (%RBX,%RDI,1),%RSI | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 |
LEA (%RSI,%RSI,2),%RCX | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 |
LEA (%R14,%RCX,8),%RAX | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 |
MOV %R15,%R13 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.17 |
MOV %RDX,%R12 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.17 |
JMP 40b0e9 <ljForce.extracted+0x249> | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 5.84 |
Function | ljForce.extracted |
Source file and lines | ljForce.c:187-216 |
Module | exec |
nb instructions | 10 |
nb uops | 10 |
loop length | 32 |
used x86 registers | 11 |
used mmx registers | 0 |
used xmm registers | 0 |
used ymm registers | 0 |
used zmm registers | 0 |
nb stack references | 0 |
micro-operation queue | 1.67 cycles |
front end | 1.67 cycles |
P0 | P1 | P2 | P3 | P4 | P5 | P6 | P7 | P8 | P9 | P10 | P11 | |
---|---|---|---|---|---|---|---|---|---|---|---|---|
uops | 0.50 | 0.40 | 0.00 | 0.00 | 0.00 | 0.40 | 0.50 | 0.00 | 0.00 | 0.00 | 0.20 | 0.00 |
cycles | 0.50 | 0.40 | 0.00 | 0.00 | 0.00 | 0.40 | 0.50 | 0.00 | 0.00 | 0.00 | 0.20 | 0.00 |
Cycles executing div or sqrt instructions | NA |
Longest recurrence chain latency (RecMII) | 0.00 |
FE+BE cycles | 1.71 |
Stall cycles | 0.00 |
Front-end | 1.67 |
Dispatch | 0.50 |
Data deps. | 0.00 |
Overall L1 | 1.67 |
all | 0% |
load | NA (no load vectorizable/vectorized instructions) |
store | NA (no store vectorizable/vectorized instructions) |
mul | NA (no mul vectorizable/vectorized instructions) |
add-sub | NA (no add-sub vectorizable/vectorized instructions) |
fma | NA (no fma vectorizable/vectorized instructions) |
div/sqrt | NA (no div/sqrt vectorizable/vectorized instructions) |
other | 0% |
all | 12% |
load | NA (no load vectorizable/vectorized instructions) |
store | NA (no store vectorizable/vectorized instructions) |
mul | NA (no mul vectorizable/vectorized instructions) |
add-sub | NA (no add-sub vectorizable/vectorized instructions) |
fma | NA (no fma vectorizable/vectorized instructions) |
div/sqrt | NA (no div/sqrt vectorizable/vectorized instructions) |
other | 12% |
Instruction | Nb FU | P0 | P1 | P2 | P3 | P4 | P5 | P6 | P7 | P8 | P9 | P10 | P11 | Latency | Recip. throughput |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
LEA 0x1(%RBX),%RAX | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 |
CMP %R9,%RBX | 1 | 0.20 | 0.20 | 0 | 0 | 0 | 0.20 | 0.20 | 0 | 0 | 0 | 0.20 | 0 | 1 | 0.20 |
MOV %RAX,%RBX | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.17 |
JE 40b060 <ljForce.extracted+0x1c0> | 1 | 0.50 | 0 | 0 | 0 | 0 | 0 | 0.50 | 0 | 0 | 0 | 0 | 0 | 0 | 0.50 |
LEA (%RBX,%RDI,1),%RSI | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 |
LEA (%RSI,%RSI,2),%RCX | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 |
LEA (%R14,%RCX,8),%RAX | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 |
MOV %R15,%R13 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.17 |
MOV %RDX,%R12 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.17 |
JMP 40b0e9 <ljForce.extracted+0x249> | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 5.84 |