| Loop Id: 101 | Module: exec | Source: ljForce.c:187-216 [...] | Coverage: 0.42% |
|---|
| Loop Id: 101 | Module: exec | Source: ljForce.c:187-216 [...] | Coverage: 0.42% |
|---|
0x2106a0 INC %RAX |
0x2106a3 CMP %RAX,-0xa0(%RBP) |
0x2106aa JLE 210630 |
0x2106ac MOV -0xa8(%RBP),%R10 |
0x2106b3 LEA (%RAX,%RAX,2),%R13 |
0x2106b7 MOV %R12,%R15 |
0x2106ba LEA (%R14,%R13,8),%R11 |
0x2106be JMP 2106cc |
(102) 0x2106c0 INC %R15 |
(102) 0x2106c3 ADD $0x18,%R10 |
(102) 0x2106c7 CMP %R8,%R15 |
(102) 0x2106ca JGE 2106a0 |
(102) 0x2106cc VMOVUPD (%R11),%XMM8 |
(102) 0x2106d1 VSUBPD -0x10(%R10),%XMM8,%XMM8 |
(102) 0x2106d7 VMULPD %XMM8,%XMM8,%XMM9 |
(102) 0x2106dc VSHUFPD $0x1,%XMM9,%XMM9,%XMM10 |
(102) 0x2106e2 VADDSD %XMM9,%XMM10,%XMM10 |
(102) 0x2106e7 VMOVSD 0x10(%R11),%XMM9 |
(102) 0x2106ed VSUBSD (%R10),%XMM9,%XMM9 |
(102) 0x2106f2 VFMADD231SD %XMM9,%XMM9,%XMM10 |
(102) 0x2106f7 VUCOMISD %XMM0,%XMM10 |
(102) 0x2106fb JBE 2106c0 |
(102) 0x2106fd VMOVSD (%RCX),%XMM11 |
(102) 0x210701 VUCOMISD %XMM10,%XMM11 |
(102) 0x210706 JB 2106c0 |
(102) 0x210708 VDIVSD %XMM10,%XMM1,%XMM10 |
(102) 0x21070d MOV 0x30(%RBX),%R9 |
(102) 0x210711 VMULSD %XMM10,%XMM10,%XMM11 |
(102) 0x210716 VMULSD %XMM10,%XMM11,%XMM11 |
(102) 0x21071b VMULSD (%RDX),%XMM11,%XMM11 |
(102) 0x21071f VMULSD %XMM7,%XMM10,%XMM10 |
(102) 0x210723 VADDSD %XMM2,%XMM11,%XMM12 |
(102) 0x210727 VFNMADD213SD (%RDI),%XMM11,%XMM12 |
(102) 0x21072c VMULSD %XMM11,%XMM10,%XMM10 |
(102) 0x210731 VMULSD %XMM3,%XMM12,%XMM12 |
(102) 0x210735 VADDSD (%R9,%RAX,8),%XMM12,%XMM13 |
(102) 0x21073b VADDSD %XMM4,%XMM12,%XMM4 |
(102) 0x21073f VMOVSD %XMM13,(%R9,%RAX,8) |
(102) 0x210745 VMOVAPD %XMM5,%XMM13 |
(102) 0x210749 VFMADD213SD %XMM6,%XMM11,%XMM13 |
(102) 0x21074e MOV 0x28(%RBX),%R9 |
(102) 0x210752 VMULSD %XMM13,%XMM10,%XMM10 |
(102) 0x210757 VMULSD (%RSI),%XMM10,%XMM10 |
(102) 0x21075b VMOVDDUP %XMM10,%XMM11 |
(102) 0x210760 VFMADD213PD (%R9,%R13,8),%XMM11,%XMM8 |
(102) 0x210766 VMOVUPD %XMM8,(%R9,%R13,8) |
(102) 0x21076c VFMADD213SD 0x10(%R9,%R13,8),%XMM10,%XMM9 |
(102) 0x210773 VMOVSD %XMM9,0x10(%R9,%R13,8) |
(102) 0x21077a JMP 2106c0 |
/beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/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 | libomp.so | |
| ○ | __kmp_invoke_task_func | libomp.so |
| min | med | avg | max |
|---|---|---|---|
| Percentile Index | 10 | 20 | 30 | 40 | 50 | 60 | 70 | 80 | 90 | 100 |
|---|---|---|---|---|---|---|---|---|---|---|
| Value |
| min | med | avg | max |
|---|---|---|---|
| Percentile Index | 10 | 20 | 30 | 40 | 50 | 60 | 70 | 80 | 90 | 100 |
|---|---|---|---|---|---|---|---|---|---|---|
| Value |
| 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 | 2.00 |
| Bottlenecks | micro-operation queue, |
| Function | ljForce.omp_outlined.5 |
| Source | ljForce.c:187-187 |
| Source loop unroll info | NA |
| Source loop unroll confidence level | NA |
| Unroll/vectorization loop type | NA |
| Unroll factor | NA |
| CQA cycles | 1.00 |
| CQA cycles if no scalar integer | 1.00 |
| CQA cycles if FP arith vectorized | 1.00 |
| CQA cycles if fully vectorized | 0.13 |
| Front-end cycles | 1.00 |
| P0 cycles | 1.00 |
| P1 cycles | 1.00 |
| P2 cycles | 1.00 |
| P3 cycles | 1.00 |
| P4 cycles | 1.00 |
| P5 cycles | 1.00 |
| P6 cycles | 0.50 |
| P7 cycles | 0.50 |
| P8 cycles | 0.50 |
| P9 cycles | 0.50 |
| P10 cycles | 0.00 |
| P11 cycles | 0.00 |
| P12 cycles | 0.00 |
| P13 cycles | 0.00 |
| P14 cycles | 0.00 |
| P15 cycles | 0.00 |
| DIV/SQRT cycles | 0.00 |
| Inter-iter dependencies cycles | 0 |
| FE+BE cycles (UFS) | NA |
| Stall cycles (UFS) | NA |
| Nb insns | 8.00 |
| Nb uops | 8.00 |
| Nb loads | 2.00 |
| Nb stores | 0.00 |
| Nb stack references | 2.00 |
| 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 | 16.00 |
| Bytes prefetched | 0.00 |
| Bytes loaded | 16.00 |
| Bytes stored | 0.00 |
| Stride 0 | 0.00 |
| Stride 1 | 0.00 |
| Stride n | 0.00 |
| Stride unknown | 1.00 |
| Stride indirect | 0.00 |
| Vectorization ratio all | 0.00 |
| Vectorization ratio load | 0.00 |
| 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 | 12.50 |
| 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 | 2.00 |
| Bottlenecks | micro-operation queue, |
| Function | ljForce.omp_outlined.5 |
| Source | ljForce.c:187-187 |
| Source loop unroll info | NA |
| Source loop unroll confidence level | NA |
| Unroll/vectorization loop type | NA |
| Unroll factor | NA |
| CQA cycles | 1.00 |
| CQA cycles if no scalar integer | 1.00 |
| CQA cycles if FP arith vectorized | 1.00 |
| CQA cycles if fully vectorized | 0.13 |
| Front-end cycles | 1.00 |
| P0 cycles | 1.00 |
| P1 cycles | 1.00 |
| P2 cycles | 1.00 |
| P3 cycles | 1.00 |
| P4 cycles | 1.00 |
| P5 cycles | 1.00 |
| P6 cycles | 0.50 |
| P7 cycles | 0.50 |
| P8 cycles | 0.50 |
| P9 cycles | 0.50 |
| P10 cycles | 0.00 |
| P11 cycles | 0.00 |
| P12 cycles | 0.00 |
| P13 cycles | 0.00 |
| P14 cycles | 0.00 |
| P15 cycles | 0.00 |
| DIV/SQRT cycles | 0.00 |
| Inter-iter dependencies cycles | 0 |
| FE+BE cycles (UFS) | NA |
| Stall cycles (UFS) | NA |
| Nb insns | 8.00 |
| Nb uops | 8.00 |
| Nb loads | 2.00 |
| Nb stores | 0.00 |
| Nb stack references | 2.00 |
| 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 | 16.00 |
| Bytes prefetched | 0.00 |
| Bytes loaded | 16.00 |
| Bytes stored | 0.00 |
| Stride 0 | 0.00 |
| Stride 1 | 0.00 |
| Stride n | 0.00 |
| Stride unknown | 1.00 |
| Stride indirect | 0.00 |
| Vectorization ratio all | 0.00 |
| Vectorization ratio load | 0.00 |
| 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 | 12.50 |
| 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.omp_outlined.5 |
| Source file and lines | ljForce.c:187-216 |
| Module | exec |
| nb instructions | 8 |
| nb uops | 8 |
| loop length | 32 |
| used x86 registers | 8 |
| used mmx registers | 0 |
| used xmm registers | 0 |
| used ymm registers | 0 |
| used zmm registers | 0 |
| nb stack references | 2 |
| micro-operation queue | 1.00 cycles |
| front end | 1.00 cycles |
| P0 | P1 | P2 | P3 | P4 | P5 | P6 | P7 | P8 | P9 | P10 | P11 | P12 | P13 | P14 | P15 | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| uops | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 0.50 | 0.50 | 0.50 | 0.50 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
| cycles | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 0.50 | 0.50 | 0.50 | 0.50 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
| Cycles executing div or sqrt instructions | NA |
| Longest recurrence chain latency (RecMII) | 0.00 |
| Front-end | 1.00 |
| Dispatch | 1.00 |
| Data deps. | 0.00 |
| Overall L1 | 1.00 |
| all | 0% |
| load | 0% |
| 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 | 12% |
| 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 | P12 | P13 | P14 | P15 | Latency | Recip. throughput | Vectorization |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| INC %RAX | 1 | 0.17 | 0.17 | 0.17 | 0.17 | 0.17 | 0.17 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.17 | N/A |
| CMP %RAX,-0xa0(%RBP) | 1 | 0.17 | 0.17 | 0.17 | 0.17 | 0.17 | 0.17 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
| JLE 210630 <ljForce.omp_outlined.5+0x280> | 1 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.33-1 | N/A |
| MOV -0xa8(%RBP),%R10 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0.25 | scal (12.5%) |
| LEA (%RAX,%RAX,2),%R13 | 1 | 0.17 | 0.17 | 0.17 | 0.17 | 0.17 | 0.17 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.17 | N/A |
| MOV %R12,%R15 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 | scal (12.5%) |
| LEA (%R14,%R13,8),%R11 | 1 | 0.17 | 0.17 | 0.17 | 0.17 | 0.17 | 0.17 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.17 | N/A |
| JMP 2106cc <ljForce.omp_outlined.5+0x31c> | 1 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.50 | N/A |
| Function | ljForce.omp_outlined.5 |
| Source file and lines | ljForce.c:187-216 |
| Module | exec |
| nb instructions | 8 |
| nb uops | 8 |
| loop length | 32 |
| used x86 registers | 8 |
| used mmx registers | 0 |
| used xmm registers | 0 |
| used ymm registers | 0 |
| used zmm registers | 0 |
| nb stack references | 2 |
| micro-operation queue | 1.00 cycles |
| front end | 1.00 cycles |
| P0 | P1 | P2 | P3 | P4 | P5 | P6 | P7 | P8 | P9 | P10 | P11 | P12 | P13 | P14 | P15 | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| uops | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 0.50 | 0.50 | 0.50 | 0.50 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
| cycles | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 0.50 | 0.50 | 0.50 | 0.50 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
| Cycles executing div or sqrt instructions | NA |
| Longest recurrence chain latency (RecMII) | 0.00 |
| Front-end | 1.00 |
| Dispatch | 1.00 |
| Data deps. | 0.00 |
| Overall L1 | 1.00 |
| all | 0% |
| load | 0% |
| 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 | 12% |
| 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 | P12 | P13 | P14 | P15 | Latency | Recip. throughput | Vectorization |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| INC %RAX | 1 | 0.17 | 0.17 | 0.17 | 0.17 | 0.17 | 0.17 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.17 | N/A |
| CMP %RAX,-0xa0(%RBP) | 1 | 0.17 | 0.17 | 0.17 | 0.17 | 0.17 | 0.17 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
| JLE 210630 <ljForce.omp_outlined.5+0x280> | 1 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.33-1 | N/A |
| MOV -0xa8(%RBP),%R10 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0.25 | scal (12.5%) |
| LEA (%RAX,%RAX,2),%R13 | 1 | 0.17 | 0.17 | 0.17 | 0.17 | 0.17 | 0.17 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.17 | N/A |
| MOV %R12,%R15 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 | scal (12.5%) |
| LEA (%R14,%R13,8),%R11 | 1 | 0.17 | 0.17 | 0.17 | 0.17 | 0.17 | 0.17 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.17 | N/A |
| JMP 2106cc <ljForce.omp_outlined.5+0x31c> | 1 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.50 | N/A |
