| Loop Id: 94 | Module: exec | Source: ljForce.c:187-216 [...] | Coverage: 0.99% |
|---|
| Loop Id: 94 | Module: exec | Source: ljForce.c:187-216 [...] | Coverage: 0.99% |
|---|
0x40bed0 LEA 0x1(%RBX),%RAX |
0x40bed4 CMP %R9,%RBX |
0x40bed7 MOV %RAX,%RBX |
0x40beda JE 40be70 |
0x40bedc LEA (%RBX,%RDI,1),%RSI |
0x40bee0 LEA (%RSI,%RSI,2),%RCX |
0x40bee4 LEA (%R12,%RCX,8),%RAX |
0x40bee8 MOV %R15,%R13 |
0x40beeb MOV %RDX,%R11 |
0x40beee JMP 40bef9 |
(95) 0x40bef0 ADD $0x18,%R13 |
(95) 0x40bef4 DEC %R11 |
(95) 0x40bef7 JE 40bed0 |
(95) 0x40bef9 VMOVUPD (%RAX),%XMM11 |
(95) 0x40befd VSUBPD -0x10(%R13),%XMM11,%XMM11 |
(95) 0x40bf03 VMULPD %XMM11,%XMM11,%XMM12 |
(95) 0x40bf08 VSHUFPD $0x1,%XMM12,%XMM12,%XMM13 |
(95) 0x40bf0e VADDSD %XMM12,%XMM13,%XMM13 |
(95) 0x40bf13 VMOVSD 0x10(%RAX),%XMM12 |
(95) 0x40bf18 VSUBSD (%R13),%XMM12,%XMM12 |
(95) 0x40bf1e VFMADD231SD %XMM12,%XMM12,%XMM13 |
(95) 0x40bf23 VUCOMISD %XMM2,%XMM13 |
(95) 0x40bf27 JA 40bef0 |
(95) 0x40bf29 VUCOMISD %XMM4,%XMM13 |
(95) 0x40bf2d JBE 40bef0 |
(95) 0x40bf2f VDIVSD %XMM13,%XMM6,%XMM13 |
(95) 0x40bf34 VMULSD %XMM13,%XMM13,%XMM14 |
(95) 0x40bf39 VMULSD %XMM1,%XMM13,%XMM15 |
(95) 0x40bf3d VMULSD %XMM15,%XMM14,%XMM14 |
(95) 0x40bf42 VADDSD %XMM7,%XMM14,%XMM15 |
(95) 0x40bf46 VFNMADD213SD %XMM0,%XMM14,%XMM15 |
(95) 0x40bf4b VMULSD %XMM8,%XMM15,%XMM15 |
(95) 0x40bf50 MOV 0x30(%R14),%R8 |
(95) 0x40bf54 VADDSD (%R8,%RSI,8),%XMM15,%XMM16 |
(95) 0x40bf5b VMOVSD %XMM16,(%R8,%RSI,8) |
(95) 0x40bf62 VMOVAPD %XMM9,%XMM16 |
(95) 0x40bf68 VFMADD213SD %XMM10,%XMM14,%XMM16 |
(95) 0x40bf6e VMULSD %XMM3,%XMM13,%XMM13 |
(95) 0x40bf72 VMULSD %XMM14,%XMM16,%XMM14 |
(95) 0x40bf78 VMULSD %XMM13,%XMM14,%XMM13 |
(95) 0x40bf7d MOV 0x28(%R14),%R8 |
(95) 0x40bf81 VMOVDDUP %XMM13,%XMM14 |
(95) 0x40bf86 VFMADD213PD (%R8,%RCX,8),%XMM14,%XMM11 |
(95) 0x40bf8c VMOVUPD %XMM11,(%R8,%RCX,8) |
(95) 0x40bf92 VFMADD213SD 0x10(%R8,%RCX,8),%XMM13,%XMM12 |
(95) 0x40bf99 VMOVSD %XMM12,0x10(%R8,%RCX,8) |
(95) 0x40bfa0 VADDSD %XMM5,%XMM15,%XMM5 |
(95) 0x40bfa4 JMP 40bef0 |
/home/eoseret/qaas_runs_ZEN5/174-043-3878/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 |
|---|---|---|---|
| ►96.43+ | __kmp_invoke_microtask | libiomp5.so | |
| ○ | __kmp_invoke_task_func | libiomp5.so | |
| ○ | __kmp_launch_thread | libiomp5.so | |
| ○ | _INTERNALea951ae6::__kmp_launc[...] | libiomp5.so | |
| ○ | start_thread | libc.so.6 | |
| ○ | __GI___clone3 | libc.so.6 | |
| ►2.44+ | __kmp_invoke_microtask | libiomp5.so | |
| ○ | __kmp_invoke_task_func | libiomp5.so | |
| ○ | __kmp_fork_call | libiomp5.so | |
| ○ | __kmpc_fork_call | libiomp5.so | |
| ○ | ljForce | ljForce.c:172 | exec |
| ○ | timestep | timestep.c:51 | exec |
| ○ | main | CoMD.c:125 | exec |
| 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 | 1.07 |
| 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 | 1.25 |
| CQA cycles if no scalar integer | 1.25 |
| CQA cycles if FP arith vectorized | 1.25 |
| CQA cycles if fully vectorized | 0.16 |
| Front-end cycles | 1.25 |
| P0 cycles | 1.17 |
| P1 cycles | 1.17 |
| P2 cycles | 1.17 |
| P3 cycles | 1.17 |
| P4 cycles | 1.17 |
| P5 cycles | 1.17 |
| P6 cycles | 0.00 |
| P7 cycles | 0.00 |
| P8 cycles | 0.00 |
| P9 cycles | 0.00 |
| 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 | 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 | 1.00 |
| Stride n | 0.00 |
| 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 | 1.07 |
| 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 | 1.25 |
| CQA cycles if no scalar integer | 1.25 |
| CQA cycles if FP arith vectorized | 1.25 |
| CQA cycles if fully vectorized | 0.16 |
| Front-end cycles | 1.25 |
| P0 cycles | 1.17 |
| P1 cycles | 1.17 |
| P2 cycles | 1.17 |
| P3 cycles | 1.17 |
| P4 cycles | 1.17 |
| P5 cycles | 1.17 |
| P6 cycles | 0.00 |
| P7 cycles | 0.00 |
| P8 cycles | 0.00 |
| P9 cycles | 0.00 |
| 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 | 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 | 1.00 |
| Stride n | 0.00 |
| 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 | 1.25 cycles |
| front end | 1.25 cycles |
| P0 | P1 | P2 | P3 | P4 | P5 | P6 | P7 | P8 | P9 | P10 | P11 | P12 | P13 | P14 | P15 | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| uops | 1.17 | 1.17 | 1.17 | 1.17 | 1.17 | 1.17 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
| cycles | 1.17 | 1.17 | 1.17 | 1.17 | 1.17 | 1.17 | 0.00 | 0.00 | 0.00 | 0.00 | 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 | 1.25 |
| Dispatch | 1.17 |
| Data deps. | 0.00 |
| Overall L1 | 1.25 |
| 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 | P12 | P13 | P14 | P15 | Latency | Recip. throughput | Vectorization |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| LEA 0x1(%RBX),%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 | 0.25 | N/A |
| CMP %R9,%RBX | 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 %RAX,%RBX | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 | N/A |
| JE 40be70 <ljForce.extracted+0x1c0> | 1 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50-1 | N/A |
| LEA (%RBX,%RDI,1),%RSI | 1 | 0.17 | 0.17 | 0.17 | 0.17 | 0.17 | 0.17 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
| LEA (%RSI,%RSI,2),%RCX | 1 | 0.17 | 0.17 | 0.17 | 0.17 | 0.17 | 0.17 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
| LEA (%R12,%RCX,8),%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 | 0.25 | N/A |
| MOV %R15,%R13 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 | scal (12.5%) |
| MOV %RDX,%R11 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 | scal (12.5%) |
| JMP 40bef9 <ljForce.extracted+0x249> | 1 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | N/A |
| 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 | 1.25 cycles |
| front end | 1.25 cycles |
| P0 | P1 | P2 | P3 | P4 | P5 | P6 | P7 | P8 | P9 | P10 | P11 | P12 | P13 | P14 | P15 | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| uops | 1.17 | 1.17 | 1.17 | 1.17 | 1.17 | 1.17 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
| cycles | 1.17 | 1.17 | 1.17 | 1.17 | 1.17 | 1.17 | 0.00 | 0.00 | 0.00 | 0.00 | 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 | 1.25 |
| Dispatch | 1.17 |
| Data deps. | 0.00 |
| Overall L1 | 1.25 |
| 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 | P12 | P13 | P14 | P15 | Latency | Recip. throughput | Vectorization |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| LEA 0x1(%RBX),%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 | 0.25 | N/A |
| CMP %R9,%RBX | 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 %RAX,%RBX | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 | N/A |
| JE 40be70 <ljForce.extracted+0x1c0> | 1 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50-1 | N/A |
| LEA (%RBX,%RDI,1),%RSI | 1 | 0.17 | 0.17 | 0.17 | 0.17 | 0.17 | 0.17 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
| LEA (%RSI,%RSI,2),%RCX | 1 | 0.17 | 0.17 | 0.17 | 0.17 | 0.17 | 0.17 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
| LEA (%R12,%RCX,8),%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 | 0.25 | N/A |
| MOV %R15,%R13 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 | scal (12.5%) |
| MOV %RDX,%R11 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 | scal (12.5%) |
| JMP 40bef9 <ljForce.extracted+0x249> | 1 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | N/A |
