OV - exec - Function ljForce.extracted

	Function: ljForce.extracted	Module: exec	Source: ljForce.c:172-222 [...]	Coverage (incl. loops): 93.21% \| (excl. loops): 0.02%

/beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c: 172 - 222

--------------------------------------------------------------------------------

172:    #pragma omp parallel for reduction(+:ePot)

173:    for (int iBox=0; iBox<s->boxes->nLocalBoxes; iBox++)

174:    {

175:       int nIBox = s->boxes->nAtoms[iBox];

176:

177:       // loop over neighbors of iBox

178:       for (int jTmp=0; jTmp<nNbrBoxes; jTmp++)

179:       {

180:          int jBox = s->boxes->nbrBoxes[iBox][jTmp];

181:

182:          assert(jBox>=0);

183:

184:          int nJBox = s->boxes->nAtoms[jBox];

185:

186:          // loop over atoms in iBox

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;

[...]

222:    } // loop over local boxes in system

0x40b350 PUSH	%RBP

0x40b351 MOV	%RSP,%RBP

0x40b354 PUSH	%R15

0x40b356 PUSH	%R14

0x40b358 PUSH	%R13

0x40b35a PUSH	%R12

0x40b35c PUSH	%RBX

0x40b35d SUB	$0x58,%RSP

0x40b361 MOVL	$0,-0x44(%RBP)

0x40b368 MOV	0x28(%RBP),%EAX

0x40b36b MOV	%R9,%R14

0x40b36e MOV	%R8,%R13

0x40b371 MOV	%RCX,%R12

0x40b374 MOV	%RDX,-0x58(%RBP)

0x40b378 MOV	%RDI,-0x68(%RBP)

0x40b37c MOV	(%RDI),%ESI

0x40b37e MOVL	$0,-0x30(%RBP)

0x40b385 MOVL	$0x1,-0x40(%RBP)

0x40b38c MOV	%EAX,-0x2c(%RBP)

0x40b38f SUB	$0x8,%RSP

0x40b393 LEA	-0x44(%RBP),%RCX

0x40b397 LEA	-0x40(%RBP),%RAX

0x40b39b LEA	-0x30(%RBP),%R8

0x40b39f LEA	-0x2c(%RBP),%R9

0x40b3a3 MOV	$0x41c750,%EDI

0x40b3a8 MOV	%ESI,-0x3c(%RBP)

0x40b3ab MOV	$0x22,%EDX

0x40b3b0 PUSH	$0x1

0x40b3b2 PUSH	$0x1

0x40b3b4 PUSH	%RAX

0x40b3b5 CALL	403250 <__kmpc_for_static_init_4@plt>

0x40b3ba ADD	$0x20,%RSP

0x40b3be MOV	-0x2c(%RBP),%EAX

0x40b3c1 MOV	-0x30(%RBP),%ECX

0x40b3c4 VXORPD	%XMM5,%XMM5,%XMM5

0x40b3c8 MOV	%RAX,-0x50(%RBP)

0x40b3cc CMP	%EAX,%ECX

0x40b3ce JBE	40b44e

0x40b3d0 MOV	-0x3c(%RBP),%ESI

0x40b3d3 MOV	0x30(%RBP),%R15

0x40b3d7 MOV	$0x41c770,%EDI

0x40b3dc VMOVSD	%XMM5,-0x38(%RBP)

0x40b3e1 CALL	403310 <__kmpc_for_static_fini@plt>

0x40b3e6 MOV	-0x68(%RBP),%RBX

0x40b3ea MOV	(%RBX),%ESI

0x40b3ec SUB	$0x8,%RSP

0x40b3f0 MOV	$0x41f920,%RAX

0x40b3f7 LEA	-0x38(%RBP),%R8

0x40b3fb MOV	$0x41c7b0,%EDI

0x40b400 MOV	$0x40b340,%R9D

0x40b406 MOV	$0x1,%EDX

0x40b40b MOV	$0x8,%ECX

0x40b410 PUSH	%RAX

0x40b411 CALL	403030 <__kmpc_reduce@plt>

0x40b416 ADD	$0x10,%RSP

0x40b41a CMP	$0x2,%EAX

0x40b41d JE	40b73d

0x40b423 CMP	$0x1,%EAX

0x40b426 JNE	40b764

0x40b42c VMOVSD	-0x38(%RBP),%XMM0

0x40b431 MOV	$0x41f920,%RDX

0x40b438 MOV	$0x41c7d0,%EDI

0x40b43d VADDSD	(%R15),%XMM0,%XMM0

0x40b442 VMOVSD	%XMM0,(%R15)

0x40b447 MOV	(%RBX),%ESI

0x40b449 JMP	40b75f

0x40b44e MOV	-0x58(%RBP),%RAX

0x40b452 VMOVQ	%R12,%XMM3

0x40b457 VMULSD	0x93f1(%RIP),%XMM3,%XMM3

0x40b45f VMOVSD	0x10(%RBP),%XMM0

0x40b464 VMOVSD	0x6dd4(%RIP),%XMM6

0x40b46c VMOVSD	0x82a4(%RIP),%XMM7

0x40b474 VMOVSD	0x93dc(%RIP),%XMM8

0x40b47c VMOVSD	0x93dc(%RIP),%XMM9

0x40b484 VMOVSD	0x93dc(%RIP),%XMM10

0x40b48c INCQ	-0x50(%RBP)

0x40b490 MOV	%ECX,%EDI

0x40b492 VMOVQ	%R14,%XMM1

0x40b497 VMOVQ	%R13,%XMM2

0x40b49c SAL	$0x6,%EDI

0x40b49f VXORPD	%XMM4,%XMM4,%XMM4

0x40b4a3 MOV	0x18(%RAX),%RAX

0x40b4a7 MOV	0x78(%RAX),%RDX

0x40b4ab MOV	0x80(%RAX),%RAX

0x40b4b2 MOV	%RDX,-0x60(%RBP)

0x40b4b6 MOV	%RAX,-0x70(%RBP)

0x40b4ba JMP	40b4d4

0x40b4bc NOPL	(%RAX)

(94) 0x40b4c0 MOV	-0x78(%RBP),%RCX

(94) 0x40b4c4 ADD	$0x40,%EDI

(94) 0x40b4c7 INC	%RCX

(94) 0x40b4ca CMP	-0x50(%RBP),%RCX

(94) 0x40b4ce JE	40b3d0

(94) 0x40b4d4 MOV	-0x60(%RBP),%RAX

(94) 0x40b4d8 MOV	-0x70(%RBP),%RDX

(94) 0x40b4dc MOV	%EDI,%EDI

(94) 0x40b4de MOV	%RCX,-0x78(%RBP)

(94) 0x40b4e2 MOV	(%RAX,%RCX,4),%EAX

(94) 0x40b4e5 MOV	(%RDX,%RCX,8),%R8

(94) 0x40b4e9 TEST	%EAX,%EAX

(94) 0x40b4eb JLE	40b640

(94) 0x40b4f1 SAL	$0x6,%ECX

(94) 0x40b4f4 LEA	0x1(%RDI),%EDX

(94) 0x40b4f7 MOV	%EDI,%R9D

(94) 0x40b4fa NOT	%R9D

(94) 0x40b4fd ADD	%ECX,%EAX

(94) 0x40b4ff CMP	%EDX,%EAX

(94) 0x40b501 CMOVLE	%EDX,%EAX

(94) 0x40b504 XOR	%R10D,%R10D

(94) 0x40b507 ADD	%EAX,%R9D

(94) 0x40b50a JMP	40b519

0x40b50c NOPL	(%RAX)

  (95) 0x40b510 INC	%R10

  (95) 0x40b513 CMP	$0x1b,%R10

  (95) 0x40b517 JE	40b4c0

  (95) 0x40b519 MOVSXD	(%R8,%R10,4),%RAX

  (95) 0x40b51d TEST	%RAX,%RAX

  (95) 0x40b520 JS	40b724

  (95) 0x40b526 MOV	-0x60(%RBP),%RCX

  (95) 0x40b52a MOV	(%RCX,%RAX,4),%ECX

  (95) 0x40b52d TEST	%ECX,%ECX

  (95) 0x40b52f JLE	40b510

  (95) 0x40b531 MOV	-0x58(%RBP),%RDX

  (95) 0x40b535 SAL	$0x6,%EAX

  (95) 0x40b538 DEC	%ECX

  (95) 0x40b53a XOR	%EBX,%EBX

  (95) 0x40b53c LEA	(%RCX,%RCX,2),%RCX

  (95) 0x40b540 LEA	(%RAX,%RAX,2),%RAX

  (95) 0x40b544 LEA	0x18(,%RCX,8),%R14

  (95) 0x40b54c MOV	0x20(%RDX),%R11

  (95) 0x40b550 MOV	0x18(%R11),%R12

  (95) 0x40b554 LEA	0x10(%R12,%RAX,8),%R13

  (95) 0x40b559 JMP	40b56c

0x40b55b NOPL	(%RAX,%RAX,1)

    (96) 0x40b560 LEA	0x1(%RBX),%RAX

    (96) 0x40b564 CMP	%R9,%RBX

    (96) 0x40b567 MOV	%RAX,%RBX

    (96) 0x40b56a JE	40b510

    (96) 0x40b56c LEA	(%RBX,%RDI,1),%RSI

    (96) 0x40b570 XOR	%R15D,%R15D

    (96) 0x40b573 LEA	(%RSI,%RSI,2),%RCX

    (96) 0x40b577 LEA	(%R12,%RCX,8),%RAX

    (96) 0x40b57b JMP	40b589

0x40b57d NOPL	(%RAX)

      (97) 0x40b580 ADD	$0x18,%R15

      (97) 0x40b584 CMP	%R15,%R14

      (97) 0x40b587 JE	40b560

      (97) 0x40b589 VMOVUPD	(%RAX),%XMM11

      (97) 0x40b58d VMOVSD	0x10(%RAX),%XMM12

      (97) 0x40b592 VSUBPD	-0x10(%R13,%R15,1),%XMM11,%XMM11

      (97) 0x40b599 VSUBSD	(%R13,%R15,1),%XMM12,%XMM12

      (97) 0x40b5a0 VMULPD	%XMM11,%XMM11,%XMM13

      (97) 0x40b5a5 VSHUFPD	$0x1,%XMM13,%XMM13,%XMM14

      (97) 0x40b5ab VADDSD	%XMM14,%XMM13,%XMM13

      (97) 0x40b5b0 VFMADD231SD	%XMM12,%XMM12,%XMM13

      (97) 0x40b5b5 VUCOMISD	%XMM13,%XMM2

      (97) 0x40b5ba JB	40b580

      (97) 0x40b5bc VUCOMISD	%XMM4,%XMM13

      (97) 0x40b5c0 JBE	40b580

      (97) 0x40b5c2 VDIVSD	%XMM13,%XMM6,%XMM13

      (97) 0x40b5c7 MOV	0x30(%R11),%RDX

      (97) 0x40b5cb VMULSD	%XMM13,%XMM13,%XMM14

      (97) 0x40b5d0 VMULSD	%XMM1,%XMM13,%XMM15

      (97) 0x40b5d4 VMULSD	%XMM3,%XMM13,%XMM13

      (97) 0x40b5d8 VMULSD	%XMM15,%XMM14,%XMM14

      (97) 0x40b5dd VADDSD	%XMM7,%XMM14,%XMM15

      (97) 0x40b5e1 VMULSD	%XMM14,%XMM13,%XMM13

      (97) 0x40b5e6 VFNMADD213SD	%XMM0,%XMM14,%XMM15

      (97) 0x40b5eb VMULSD	%XMM8,%XMM15,%XMM15

      (97) 0x40b5f0 VADDSD	(%RDX,%RSI,8),%XMM15,%XMM16

      (97) 0x40b5f7 VADDSD	%XMM5,%XMM15,%XMM5

      (97) 0x40b5fb VMOVSD	%XMM16,(%RDX,%RSI,8)

      (97) 0x40b602 VMOVAPD	%XMM9,%XMM16

      (97) 0x40b608 VFMADD213SD	%XMM10,%XMM14,%XMM16

      (97) 0x40b60e MOV	0x28(%R11),%RDX

      (97) 0x40b612 VMULSD	%XMM16,%XMM13,%XMM13

      (97) 0x40b618 VMOVDDUP	%XMM13,%XMM14

      (97) 0x40b61d VFMADD213PD	(%RDX,%RCX,8),%XMM14,%XMM11

      (97) 0x40b623 VMOVUPD	%XMM11,(%RDX,%RCX,8)

      (97) 0x40b628 VFMADD213SD	0x10(%RDX,%RCX,8),%XMM13,%XMM12

      (97) 0x40b62f VMOVSD	%XMM12,0x10(%RDX,%RCX,8)

      (97) 0x40b635 JMP	40b580

0x40b63a NOPW	(%RAX,%RAX,1)

(94) 0x40b640 CMPL	$0,(%R8)

(94) 0x40b644 JS	40b724

(94) 0x40b64a CMPL	$0,0x4(%R8)

(94) 0x40b64f JS	40b724

(94) 0x40b655 CMPL	$0,0x8(%R8)

(94) 0x40b65a JS	40b724

(94) 0x40b660 CMPL	$0,0xc(%R8)

(94) 0x40b665 JS	40b724

(94) 0x40b66b CMPL	$0,0x10(%R8)

(94) 0x40b670 JS	40b724

(94) 0x40b676 CMPL	$0,0x14(%R8)

(94) 0x40b67b JS	40b724

(94) 0x40b681 CMPL	$0,0x18(%R8)

(94) 0x40b686 JS	40b724

(94) 0x40b68c CMPL	$0,0x1c(%R8)

(94) 0x40b691 JS	40b724

(94) 0x40b697 CMPL	$0,0x20(%R8)

(94) 0x40b69c JS	40b724

(94) 0x40b6a2 CMPL	$0,0x24(%R8)

(94) 0x40b6a7 JS	40b724

(94) 0x40b6a9 CMPL	$0,0x28(%R8)

(94) 0x40b6ae JS	40b724

(94) 0x40b6b0 CMPL	$0,0x2c(%R8)

(94) 0x40b6b5 JS	40b724

(94) 0x40b6b7 CMPL	$0,0x30(%R8)

(94) 0x40b6bc JS	40b724

(94) 0x40b6be CMPL	$0,0x34(%R8)

(94) 0x40b6c3 JS	40b724

(94) 0x40b6c5 CMPL	$0,0x38(%R8)

(94) 0x40b6ca JS	40b724

(94) 0x40b6cc CMPL	$0,0x3c(%R8)

(94) 0x40b6d1 JS	40b724

(94) 0x40b6d3 CMPL	$0,0x40(%R8)

(94) 0x40b6d8 JS	40b724

(94) 0x40b6da CMPL	$0,0x44(%R8)

(94) 0x40b6df JS	40b724

(94) 0x40b6e1 CMPL	$0,0x48(%R8)

(94) 0x40b6e6 JS	40b724

(94) 0x40b6e8 CMPL	$0,0x4c(%R8)

(94) 0x40b6ed JS	40b724

(94) 0x40b6ef CMPL	$0,0x50(%R8)

(94) 0x40b6f4 JS	40b724

(94) 0x40b6f6 CMPL	$0,0x54(%R8)

(94) 0x40b6fb JS	40b724

(94) 0x40b6fd CMPL	$0,0x58(%R8)

(94) 0x40b702 JS	40b724

(94) 0x40b704 CMPL	$0,0x5c(%R8)

(94) 0x40b709 JS	40b724

(94) 0x40b70b CMPL	$0,0x60(%R8)

(94) 0x40b710 JS	40b724

(94) 0x40b712 CMPL	$0,0x64(%R8)

(94) 0x40b717 JS	40b724

(94) 0x40b719 CMPL	$0,0x68(%R8)

(94) 0x40b71e JNS	40b4c0

0x40b724 MOV	$0x414873,%EDI

0x40b729 MOV	$0x41487b,%ESI

0x40b72e MOV	$0x414903,%ECX

0x40b733 MOV	$0xb6,%EDX

0x40b738 CALL	403080 <__assert_fail@plt>

0x40b73d VMOVSD	-0x38(%RBP),%XMM0

0x40b742 MOV	(%RBX),%ESI

0x40b744 MOV	$0x41c790,%EDI

0x40b749 MOV	%R15,%RDX

0x40b74c CALL	4031b0 <__kmpc_atomic_float8_add@plt>

0x40b751 MOV	(%RBX),%ESI

0x40b753 MOV	$0x41f920,%RDX

0x40b75a MOV	$0x41c7f0,%EDI

0x40b75f CALL	403280 <__kmpc_end_reduce@plt>

0x40b764 ADD	$0x58,%RSP

0x40b768 POP	%RBX

0x40b769 POP	%R12

0x40b76b POP	%R13

0x40b76d POP	%R14

0x40b76f POP	%R15

0x40b771 POP	%RBP

0x40b772 RET

0x40b773 NOPW	%CS:(%RAX,%RAX,1)

Coverage (%)	Name	Source Location	Module
►97.10+	__kmp_invoke_microtask		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
○1.57	__kmp_invoke_microtask		libiomp5.so

Coverage (%)	Name	Source Location	Module
►100.00+	__kmp_invoke_microtask		libiomp5.so
○	__kmp_invoke_task_func		libiomp5.so

Coverage (%)	Name	Source Location	Module
►100.00+	__kmp_invoke_microtask		libiomp5.so
○	__kmp_invoke_task_func		libiomp5.so

Coverage (%)	Name	Source Location	Module
►100.00+	__kmp_invoke_microtask		libiomp5.so
○	__kmp_invoke_task_func		libiomp5.so

Coverage (%)	Name	Source Location	Module
►100.00+	__kmp_invoke_microtask		libiomp5.so
○	__kmp_invoke_task_func		libiomp5.so

Coverage (%)	Name	Source Location	Module
►100.00+	__kmp_invoke_microtask		libiomp5.so
○	__kmp_invoke_task_func		libiomp5.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 /

Average path: Display a virtual path defined by average values of all real paths

The code analyzed by CQA in that panel excludes loops and represents 0.02% of application time for run 8x1

Source file and lines	ljForce.c:172-222
Module	exec

The function is defined in /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c:172-191,197-216,222.

Warnings:
Ignoring paths for analysis

gain
potential
hint
expert

Code clean check

Detected a slowdown caused by scalar integer instructions (typically used for address computation). By removing them, you can lower the cost of an iteration from 14.38 to 3.25 cycles (4.42x speedup).

Workaround

Try to reorganize arrays of structures to structures of arrays
Consider to permute loops (see vectorization gain report)

Vectorization

Your function is probably not vectorized. Only 10% of vector register length is used (average across all SSE/AVX instructions). By vectorizing your function, you can lower the cost of an iteration from 14.38 to 1.05 cycles (13.73x speedup).

Details

Store and arithmetical SSE/AVX instructions are used in scalar version (process only one data element in vector registers). Since your execution units are vector units, only a vectorized function can use their full power.

Workaround

Try another compiler or update/tune your current one
Make array accesses unit-stride:
- If your function streams arrays of structures (AoS), try to use structures of arrays instead (SoA): for(i) a[i].x = b[i].x; (slow, non stride 1) => for(i) a.x[i] = b.x[i]; (fast, stride 1)

Execution units bottlenecks

Found no such bottlenecks but see expert reports for more complex bottlenecks.

FMA

Presence of both ADD/SUB and MUL operations.

Workaround

Pass to your compiler a micro-architecture specialization option:
- use march=native
Try to change order in which elements are evaluated (using parentheses) in arithmetic expressions containing both ADD/SUB and MUL operations to enable your compiler to generate FMA instructions wherever possible. For instance a + b*c is a valid FMA (MUL then ADD). However (a+b)* c cannot be translated into an FMA (ADD then MUL).

CALL instructions

Detected function call instructions.

Details

Calling (and then returning from) a function prevents many compiler optimizations (like vectorization), breaks control flow (which reduces pipeline performance) and executes extra instructions to save/restore the registers used inside it, which is very expensive (dozens of cycles). Consider to inline small functions.

__assert_fail@plt: 1 occurrences►
- /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c:182
__kmpc_atomic_float8_add@plt: 1 occurrences►
- /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c:172
__kmpc_end_reduce@plt: 1 occurrences►
- /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c:172
__kmpc_for_static_fini@plt: 1 occurrences►
- /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c:172
__kmpc_for_static_init_4@plt: 1 occurrences►
- /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c:172
__kmpc_reduce@plt: 1 occurrences►
- /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c:172

Type of elements and instruction set

2 SSE or AVX instructions are processing arithmetic or math operations on double precision FP elements in scalar mode (one at a time).

Matching between your function (in the source code) and the binary function

The binary function is composed of 2 FP arithmetical operations:

1: addition or subtraction
1: multiply

The binary function is loading 172 bytes (21 double precision FP elements). The binary function is storing 84 bytes (10 double precision FP elements).

Arithmetic intensity

Arithmetic intensity is 0.01 FP operations per loaded or stored byte.

General properties

nb instructions	115
nb uops	115
loop length	478
used x86 registers	14
used mmx registers	0
used xmm registers	11
used ymm registers	0
used zmm registers	0
nb stack references	14
ADD-SUB / MUL ratio	1.00

Front-end

MACRO FUSION NOT POSSIBLE FIT IN UOP CACHE

micro-operation queue	14.38 cycles
front end	14.38 cycles

Back-end

	P0	P1	P2	P3	P4	P5	P6	P7	P8	P9	P10	P11	P12	P13	P14	P15
uops	8.00	8.00	8.00	8.00	8.00	8.00	11.00	11.00	11.00	11.00	0.50	0.50	0.50	0.50	1.00	1.00
cycles	8.00	8.00	8.00	8.00	8.00	8.00	11.00	11.00	11.00	11.00	0.50	0.50	0.50	0.50	1.00	1.00

Execution ports to units layout:

P0: ALU
P1: ALU
P2: ALU
P3: ALU, BRU
P4: ALU, BRU
P5: ALU, BRU
P6 (512 bits): store address, load
P7 (512 bits): store address, load
P8 (512 bits): store address, load
P9 (512 bits): store address, load
P10 (512 bits): VPU, DIV/SQRT
P11 (512 bits): VPU, DIV/SQRT
P12 (512 bits): VPU
P13 (512 bits): VPU
P14 (512 bits): FP store data
P15 (512 bits): FP store data

Cycles executing div or sqrt instructions

Cycles summary

Front-end	14.38
Dispatch	11.00
Overall L1	14.38

Vectorization ratios

INT

all	0%
load	0%
store	0%
mul	NA (no mul vectorizable/vectorized instructions)
add-sub	NA (no add-sub vectorizable/vectorized instructions)
fma	NA (no fma vectorizable/vectorized instructions)
other	0%

all	14%
load	0%
store	0%
mul	0%
add-sub	0%
fma	NA (no fma vectorizable/vectorized instructions)
div/sqrt	NA (no div/sqrt vectorizable/vectorized instructions)
other	100%

INT+FP

all	3%
load	0%
store	0%
mul	0%
add-sub	0%
fma	NA (no fma vectorizable/vectorized instructions)
div/sqrt	NA (no div/sqrt vectorizable/vectorized instructions)
other	9%

Vector efficiency ratios

INT

all	8%
load	7%
store	9%
mul	NA (no mul vectorizable/vectorized instructions)
add-sub	NA (no add-sub vectorizable/vectorized instructions)
fma	NA (no fma vectorizable/vectorized instructions)
other	8%

all	14%
load	12%
store	12%
mul	12%
add-sub	12%
fma	NA (no fma vectorizable/vectorized instructions)
div/sqrt	NA (no div/sqrt vectorizable/vectorized instructions)
other	25%

INT+FP

all	10%
load	10%
store	10%
mul	12%
add-sub	12%
fma	NA (no fma vectorizable/vectorized instructions)
div/sqrt	NA (no div/sqrt vectorizable/vectorized instructions)
other	10%

Cycles and memory resources usage

Assuming all data fit into the L1 cache, each call to the function takes 14.38 cycles. At this rate:

4% of peak load performance is reached (11.97 out of 256.00 bytes loaded per cycle (GB/s @ 1GHz))
4% of peak store performance is reached (5.84 out of 128.00 bytes stored per cycle (GB/s @ 1GHz))

Front-end bottlenecks

Performance is limited by instruction throughput (loading/decoding program instructions to execution core) (front-end is a bottleneck). By removing all these bottlenecks, you can lower the cost of an iteration from 14.38 to 11.00 cycles (1.31x speedup).

ASM code

In the binary file, the address of the function is: 40b350

Instruction	Nb FU	P0	P1	P2	P3	P4	P5	P6	P7	P8	P9	P10	P11	P12	P13	P14	P15	Latency	Recip. throughput	Vectorization
PUSH %RBP	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
MOV %RSP,%RBP	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	N/A
PUSH %R15	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
PUSH %R14	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
PUSH %R13	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
PUSH %R12	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
PUSH %RBX	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
SUB $0x58,%RSP	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
MOVL $0,-0x44(%RBP)	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	4	0.50	scal (6.3%)
MOV 0x28(%RBP),%EAX	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	3	0.25	N/A
MOV %R9,%R14	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	scal (12.5%)
MOV %R8,%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 %RCX,%R12	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,-0x58(%RBP)	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	4	0.50	scal (12.5%)
MOV %RDI,-0x68(%RBP)	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	4	0.50	scal (12.5%)
MOV (%RDI),%ESI	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 (6.3%)
MOVL $0,-0x30(%RBP)	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	4	0.50	scal (6.3%)
MOVL $0x1,-0x40(%RBP)	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	4	0.50	scal (6.3%)
MOV %EAX,-0x2c(%RBP)	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	4	0.50	scal (6.3%)
SUB $0x8,%RSP	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
LEA -0x44(%RBP),%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	0.17	N/A
LEA -0x40(%RBP),%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
LEA -0x30(%RBP),%R8	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
LEA -0x2c(%RBP),%R9	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 $0x41c750,%EDI	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 %ESI,-0x3c(%RBP)	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	4	0.50	scal (6.3%)
MOV $0x22,%EDX	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	scal (6.3%)
PUSH $0x1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
PUSH $0x1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
PUSH %RAX	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
CALL 403250 <__kmpc_for_static_init_4@plt>	2	0	0	0	0.33	0.33	0.33	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0.50	N/A
ADD $0x20,%RSP	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 -0x2c(%RBP),%EAX	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	3	0.25	N/A
MOV -0x30(%RBP),%ECX	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 (6.3%)
VXORPD %XMM5,%XMM5,%XMM5	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	vect (25.0%)
MOV %RAX,-0x50(%RBP)	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	4	0.50	scal (12.5%)
CMP %EAX,%ECX	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	scal (6.3%)
JBE 40b44e <ljForce.extracted+0xfe>	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 -0x3c(%RBP),%ESI	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 (6.3%)
MOV 0x30(%RBP),%R15	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	3	0.25	N/A
MOV $0x41c770,%EDI	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
VMOVSD %XMM5,-0x38(%RBP)	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0.50	0.50	1	0.50	scal (12.5%)
CALL 403310 <__kmpc_for_static_fini@plt>	2	0	0	0	0.33	0.33	0.33	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0.50	N/A
MOV -0x68(%RBP),%RBX	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	3	0.25	N/A
MOV (%RBX),%ESI	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 (6.3%)
SUB $0x8,%RSP	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 $0x41f920,%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
LEA -0x38(%RBP),%R8	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 $0x41c7b0,%EDI	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 $0x40b340,%R9D	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	scal (6.3%)
MOV $0x1,%EDX	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	scal (6.3%)
MOV $0x8,%ECX	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	scal (6.3%)
PUSH %RAX	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
CALL 403030 <__kmpc_reduce@plt>	2	0	0	0	0.33	0.33	0.33	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0.50	N/A
ADD $0x10,%RSP	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 $0x2,%EAX	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	scal (6.3%)
JE 40b73d <ljForce.extracted+0x3ed>	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
CMP $0x1,%EAX	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	scal (6.3%)
JNE 40b764 <ljForce.extracted+0x414>	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
VMOVSD -0x38(%RBP),%XMM0	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	1	0.50	scal (12.5%)
MOV $0x41f920,%RDX	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	scal (6.3%)
MOV $0x41c7d0,%EDI	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
VADDSD (%R15),%XMM0,%XMM0	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0.50	0.50	0	0	2	0.50	scal (12.5%)
VMOVSD %XMM0,(%R15)	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0.50	0.50	1	0.50	scal (12.5%)
MOV (%RBX),%ESI	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 (6.3%)
JMP 40b75f <ljForce.extracted+0x40f>	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
MOV -0x58(%RBP),%RAX	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	3	0.25	N/A
VMOVQ %R12,%XMM3	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	2	1	scal (12.5%)
VMULSD 0x93f1(%RIP),%XMM3,%XMM3	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0.50	0.50	0	0	0	0	3	0.50	scal (12.5%)
VMOVSD 0x10(%RBP),%XMM0	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	1	0.50	scal (12.5%)
VMOVSD 0x6dd4(%RIP),%XMM6	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	1	0.50	scal (12.5%)
VMOVSD 0x82a4(%RIP),%XMM7	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	1	0.50	scal (12.5%)
VMOVSD 0x93dc(%RIP),%XMM8	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	1	0.50	scal (12.5%)
VMOVSD 0x93dc(%RIP),%XMM9	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	1	0.50	scal (12.5%)
VMOVSD 0x93dc(%RIP),%XMM10	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	1	0.50	scal (12.5%)
INCQ -0x50(%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	0.50	scal (12.5%)
MOV %ECX,%EDI	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	N/A
VMOVQ %R14,%XMM1	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	2	1	scal (12.5%)
VMOVQ %R13,%XMM2	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	2	1	scal (12.5%)
SAL $0x6,%EDI	1	0	0	0	0.33	0.33	0.33	0	0	0	0	0	0	0	0	0	0	1	0.33	N/A
VXORPD %XMM4,%XMM4,%XMM4	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	vect (25.0%)
MOV 0x18(%RAX),%RAX	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	3	0.25	N/A
MOV 0x78(%RAX),%RDX	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%)
MOV 0x80(%RAX),%RAX	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	3	0.25	N/A
MOV %RDX,-0x60(%RBP)	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	4	0.50	scal (12.5%)
MOV %RAX,-0x70(%RBP)	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	4	0.50	scal (12.5%)
JMP 40b4d4 <ljForce.extracted+0x184>	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
NOPL (%RAX)	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.13	N/A
NOPL (%RAX)	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.13	N/A
NOPL (%RAX,%RAX,1)	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.13	N/A
NOPL (%RAX)	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.13	N/A
NOPW (%RAX,%RAX,1)	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.13	N/A
MOV $0x414873,%EDI	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 $0x41487b,%ESI	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	scal (6.3%)
MOV $0x414903,%ECX	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	scal (6.3%)
MOV $0xb6,%EDX	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	scal (6.3%)
CALL 403080 <__assert_fail@plt>	2	0	0	0	0.33	0.33	0.33	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0.50	N/A
VMOVSD -0x38(%RBP),%XMM0	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	1	0.50	scal (12.5%)
MOV (%RBX),%ESI	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 (6.3%)
MOV $0x41c790,%EDI	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 %R15,%RDX	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	scal (12.5%)
CALL 4031b0 <__kmpc_atomic_float8_add@plt>	2	0	0	0	0.33	0.33	0.33	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0.50	N/A
MOV (%RBX),%ESI	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 (6.3%)
MOV $0x41f920,%RDX	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	scal (6.3%)
MOV $0x41c7f0,%EDI	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
CALL 403280 <__kmpc_end_reduce@plt>	2	0	0	0	0.33	0.33	0.33	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0.50	N/A
ADD $0x58,%RSP	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
POP %RBX	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.25	N/A
POP %R12	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.25	N/A
POP %R13	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.25	N/A
POP %R14	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.25	N/A
POP %R15	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.25	N/A
POP %RBP	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.25	N/A
RET	1	0	0	0	0.33	0.33	0.33	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
NOPW %CS:(%RAX,%RAX,1)	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.13	N/A

The code analyzed by CQA in that panel excludes loops and represents 0.02% of application time for run 8x1

Source file and lines	ljForce.c:172-222
Module	exec

gain
potential
hint
expert

Code clean check

Detected a slowdown caused by scalar integer instructions (typically used for address computation). By removing them, you can lower the cost of an iteration from 14.38 to 3.25 cycles (4.42x speedup).

Workaround

Try to reorganize arrays of structures to structures of arrays
Consider to permute loops (see vectorization gain report)

Vectorization

Details

Workaround

Try another compiler or update/tune your current one
Make array accesses unit-stride:
- If your function streams arrays of structures (AoS), try to use structures of arrays instead (SoA): for(i) a[i].x = b[i].x; (slow, non stride 1) => for(i) a.x[i] = b.x[i]; (fast, stride 1)

Execution units bottlenecks

Found no such bottlenecks but see expert reports for more complex bottlenecks.

FMA

Presence of both ADD/SUB and MUL operations.

Workaround

Pass to your compiler a micro-architecture specialization option:
- use march=native
Try to change order in which elements are evaluated (using parentheses) in arithmetic expressions containing both ADD/SUB and MUL operations to enable your compiler to generate FMA instructions wherever possible. For instance a + b*c is a valid FMA (MUL then ADD). However (a+b)* c cannot be translated into an FMA (ADD then MUL).

CALL instructions

Detected function call instructions.

Details

__assert_fail@plt: 1 occurrences►
- /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c:182
__kmpc_atomic_float8_add@plt: 1 occurrences►
- /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c:172
__kmpc_end_reduce@plt: 1 occurrences►
- /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c:172
__kmpc_for_static_fini@plt: 1 occurrences►
- /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c:172
__kmpc_for_static_init_4@plt: 1 occurrences►
- /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c:172
__kmpc_reduce@plt: 1 occurrences►
- /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c:172

Type of elements and instruction set

2 SSE or AVX instructions are processing arithmetic or math operations on double precision FP elements in scalar mode (one at a time).

Matching between your function (in the source code) and the binary function

The binary function is composed of 2 FP arithmetical operations:

1: addition or subtraction
1: multiply

The binary function is loading 172 bytes (21 double precision FP elements). The binary function is storing 84 bytes (10 double precision FP elements).

Arithmetic intensity

Arithmetic intensity is 0.01 FP operations per loaded or stored byte.

General properties

nb instructions	115
nb uops	115
loop length	478
used x86 registers	14
used mmx registers	0
used xmm registers	11
used ymm registers	0
used zmm registers	0
nb stack references	14
ADD-SUB / MUL ratio	1.00

Front-end

MACRO FUSION NOT POSSIBLE FIT IN UOP CACHE

micro-operation queue	14.38 cycles
front end	14.38 cycles

Back-end

	P0	P1	P2	P3	P4	P5	P6	P7	P8	P9	P10	P11	P12	P13	P14	P15
uops	8.00	8.00	8.00	8.00	8.00	8.00	11.00	11.00	11.00	11.00	0.50	0.50	0.50	0.50	1.00	1.00
cycles	8.00	8.00	8.00	8.00	8.00	8.00	11.00	11.00	11.00	11.00	0.50	0.50	0.50	0.50	1.00	1.00

Execution ports to units layout:

P0: ALU
P1: ALU
P2: ALU
P3: ALU, BRU
P4: ALU, BRU
P5: ALU, BRU
P6 (512 bits): store address, load
P7 (512 bits): store address, load
P8 (512 bits): store address, load
P9 (512 bits): store address, load
P10 (512 bits): VPU, DIV/SQRT
P11 (512 bits): VPU, DIV/SQRT
P12 (512 bits): VPU
P13 (512 bits): VPU
P14 (512 bits): FP store data
P15 (512 bits): FP store data

Cycles executing div or sqrt instructions

Cycles summary

Front-end	14.38
Dispatch	11.00
Overall L1	14.38

Vectorization ratios

INT

all	0%
load	0%
store	0%
mul	NA (no mul vectorizable/vectorized instructions)
add-sub	NA (no add-sub vectorizable/vectorized instructions)
fma	NA (no fma vectorizable/vectorized instructions)
other	0%

all	14%
load	0%
store	0%
mul	0%
add-sub	0%
fma	NA (no fma vectorizable/vectorized instructions)
div/sqrt	NA (no div/sqrt vectorizable/vectorized instructions)
other	100%

INT+FP

all	3%
load	0%
store	0%
mul	0%
add-sub	0%
fma	NA (no fma vectorizable/vectorized instructions)
div/sqrt	NA (no div/sqrt vectorizable/vectorized instructions)
other	9%

Vector efficiency ratios

INT

all	8%
load	7%
store	9%
mul	NA (no mul vectorizable/vectorized instructions)
add-sub	NA (no add-sub vectorizable/vectorized instructions)
fma	NA (no fma vectorizable/vectorized instructions)
other	8%

all	14%
load	12%
store	12%
mul	12%
add-sub	12%
fma	NA (no fma vectorizable/vectorized instructions)
div/sqrt	NA (no div/sqrt vectorizable/vectorized instructions)
other	25%

INT+FP

all	10%
load	10%
store	10%
mul	12%
add-sub	12%
fma	NA (no fma vectorizable/vectorized instructions)
div/sqrt	NA (no div/sqrt vectorizable/vectorized instructions)
other	10%

Cycles and memory resources usage

Assuming all data fit into the L1 cache, each call to the function takes 14.38 cycles. At this rate:

4% of peak load performance is reached (11.97 out of 256.00 bytes loaded per cycle (GB/s @ 1GHz))
4% of peak store performance is reached (5.84 out of 128.00 bytes stored per cycle (GB/s @ 1GHz))

Front-end bottlenecks

ASM code

In the binary file, the address of the function is: 40b350

Instruction	Nb FU	P0	P1	P2	P3	P4	P5	P6	P7	P8	P9	P10	P11	P12	P13	P14	P15	Latency	Recip. throughput	Vectorization
PUSH %RBP	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
MOV %RSP,%RBP	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	N/A
PUSH %R15	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
PUSH %R14	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
PUSH %R13	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
PUSH %R12	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
PUSH %RBX	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
SUB $0x58,%RSP	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
MOVL $0,-0x44(%RBP)	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	4	0.50	scal (6.3%)
MOV 0x28(%RBP),%EAX	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	3	0.25	N/A
MOV %R9,%R14	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	scal (12.5%)
MOV %R8,%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 %RCX,%R12	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,-0x58(%RBP)	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	4	0.50	scal (12.5%)
MOV %RDI,-0x68(%RBP)	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	4	0.50	scal (12.5%)
MOV (%RDI),%ESI	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 (6.3%)
MOVL $0,-0x30(%RBP)	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	4	0.50	scal (6.3%)
MOVL $0x1,-0x40(%RBP)	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	4	0.50	scal (6.3%)
MOV %EAX,-0x2c(%RBP)	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	4	0.50	scal (6.3%)
SUB $0x8,%RSP	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
LEA -0x44(%RBP),%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	0.17	N/A
LEA -0x40(%RBP),%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
LEA -0x30(%RBP),%R8	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
LEA -0x2c(%RBP),%R9	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 $0x41c750,%EDI	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 %ESI,-0x3c(%RBP)	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	4	0.50	scal (6.3%)
MOV $0x22,%EDX	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	scal (6.3%)
PUSH $0x1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
PUSH $0x1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
PUSH %RAX	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
CALL 403250 <__kmpc_for_static_init_4@plt>	2	0	0	0	0.33	0.33	0.33	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0.50	N/A
ADD $0x20,%RSP	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 -0x2c(%RBP),%EAX	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	3	0.25	N/A
MOV -0x30(%RBP),%ECX	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 (6.3%)
VXORPD %XMM5,%XMM5,%XMM5	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	vect (25.0%)
MOV %RAX,-0x50(%RBP)	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	4	0.50	scal (12.5%)
CMP %EAX,%ECX	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	scal (6.3%)
JBE 40b44e <ljForce.extracted+0xfe>	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 -0x3c(%RBP),%ESI	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 (6.3%)
MOV 0x30(%RBP),%R15	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	3	0.25	N/A
MOV $0x41c770,%EDI	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
VMOVSD %XMM5,-0x38(%RBP)	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0.50	0.50	1	0.50	scal (12.5%)
CALL 403310 <__kmpc_for_static_fini@plt>	2	0	0	0	0.33	0.33	0.33	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0.50	N/A
MOV -0x68(%RBP),%RBX	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	3	0.25	N/A
MOV (%RBX),%ESI	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 (6.3%)
SUB $0x8,%RSP	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 $0x41f920,%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
LEA -0x38(%RBP),%R8	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 $0x41c7b0,%EDI	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 $0x40b340,%R9D	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	scal (6.3%)
MOV $0x1,%EDX	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	scal (6.3%)
MOV $0x8,%ECX	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	scal (6.3%)
PUSH %RAX	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
CALL 403030 <__kmpc_reduce@plt>	2	0	0	0	0.33	0.33	0.33	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0.50	N/A
ADD $0x10,%RSP	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 $0x2,%EAX	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	scal (6.3%)
JE 40b73d <ljForce.extracted+0x3ed>	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
CMP $0x1,%EAX	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	scal (6.3%)
JNE 40b764 <ljForce.extracted+0x414>	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
VMOVSD -0x38(%RBP),%XMM0	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	1	0.50	scal (12.5%)
MOV $0x41f920,%RDX	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	scal (6.3%)
MOV $0x41c7d0,%EDI	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
VADDSD (%R15),%XMM0,%XMM0	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0.50	0.50	0	0	2	0.50	scal (12.5%)
VMOVSD %XMM0,(%R15)	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0.50	0.50	1	0.50	scal (12.5%)
MOV (%RBX),%ESI	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 (6.3%)
JMP 40b75f <ljForce.extracted+0x40f>	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
MOV -0x58(%RBP),%RAX	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	3	0.25	N/A
VMOVQ %R12,%XMM3	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	2	1	scal (12.5%)
VMULSD 0x93f1(%RIP),%XMM3,%XMM3	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0.50	0.50	0	0	0	0	3	0.50	scal (12.5%)
VMOVSD 0x10(%RBP),%XMM0	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	1	0.50	scal (12.5%)
VMOVSD 0x6dd4(%RIP),%XMM6	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	1	0.50	scal (12.5%)
VMOVSD 0x82a4(%RIP),%XMM7	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	1	0.50	scal (12.5%)
VMOVSD 0x93dc(%RIP),%XMM8	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	1	0.50	scal (12.5%)
VMOVSD 0x93dc(%RIP),%XMM9	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	1	0.50	scal (12.5%)
VMOVSD 0x93dc(%RIP),%XMM10	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	1	0.50	scal (12.5%)
INCQ -0x50(%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	0.50	scal (12.5%)
MOV %ECX,%EDI	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	N/A
VMOVQ %R14,%XMM1	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	2	1	scal (12.5%)
VMOVQ %R13,%XMM2	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	2	1	scal (12.5%)
SAL $0x6,%EDI	1	0	0	0	0.33	0.33	0.33	0	0	0	0	0	0	0	0	0	0	1	0.33	N/A
VXORPD %XMM4,%XMM4,%XMM4	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	vect (25.0%)
MOV 0x18(%RAX),%RAX	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	3	0.25	N/A
MOV 0x78(%RAX),%RDX	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%)
MOV 0x80(%RAX),%RAX	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	3	0.25	N/A
MOV %RDX,-0x60(%RBP)	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	4	0.50	scal (12.5%)
MOV %RAX,-0x70(%RBP)	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	4	0.50	scal (12.5%)
JMP 40b4d4 <ljForce.extracted+0x184>	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
NOPL (%RAX)	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.13	N/A
NOPL (%RAX)	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.13	N/A
NOPL (%RAX,%RAX,1)	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.13	N/A
NOPL (%RAX)	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.13	N/A
NOPW (%RAX,%RAX,1)	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.13	N/A
MOV $0x414873,%EDI	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 $0x41487b,%ESI	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	scal (6.3%)
MOV $0x414903,%ECX	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	scal (6.3%)
MOV $0xb6,%EDX	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	scal (6.3%)
CALL 403080 <__assert_fail@plt>	2	0	0	0	0.33	0.33	0.33	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0.50	N/A
VMOVSD -0x38(%RBP),%XMM0	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	1	0.50	scal (12.5%)
MOV (%RBX),%ESI	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 (6.3%)
MOV $0x41c790,%EDI	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 %R15,%RDX	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	scal (12.5%)
CALL 4031b0 <__kmpc_atomic_float8_add@plt>	2	0	0	0	0.33	0.33	0.33	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0.50	N/A
MOV (%RBX),%ESI	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 (6.3%)
MOV $0x41f920,%RDX	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	scal (6.3%)
MOV $0x41c7f0,%EDI	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
CALL 403280 <__kmpc_end_reduce@plt>	2	0	0	0	0.33	0.33	0.33	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0.50	N/A
ADD $0x58,%RSP	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
POP %RBX	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.25	N/A
POP %R12	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.25	N/A
POP %R13	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.25	N/A
POP %R14	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.25	N/A
POP %R15	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.25	N/A
POP %RBP	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.25	N/A
RET	1	0	0	0	0.33	0.33	0.33	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
NOPW %CS:(%RAX,%RAX,1)	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.13	N/A

▶Scalability Runs Description

Run 8x1	Number processes: 8Number nodes: NANumber processes per node: 8Run Command: <executable> -x 200 -y 200 -z 200 --xproc=2 --yproc=2 --zproc=2MPI Command: mpirun -n <number_processes> --bind-to core --map-by package:PE=24 --rank-by fill --report-bindings Dataset: Run Directory: /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/run/oneview_runs/multicore/icx_1/oneview_run_1773746383OMP_PROC_BIND: spreadOMP_DISPLAY_AFFINITY: TRUEOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEOMP_PLACES: threadsOMP_NUM_THREADS: 1
Run 8x8	Number processes: 8Number processes per node: 8Run Command: <executable> -x 200 -y 200 -z 200 --xproc=2 --yproc=2 --zproc=2MPI Command: mpirun -n <number_processes> --bind-to core --map-by package:PE=24 --rank-by fill --report-bindings Dataset: Run Directory: /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/run/oneview_runs/multicore/icx_1/oneview_run_1773746383OMP_NUM_THREADS: 8OMP_PROC_BIND: spreadOMP_DISPLAY_AFFINITY: TRUEOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEOMP_PLACES: threads
Run 8x12	Number processes: 8Number processes per node: 8Run Command: <executable> -x 200 -y 200 -z 200 --xproc=2 --yproc=2 --zproc=2MPI Command: mpirun -n <number_processes> --bind-to core --map-by package:PE=24 --rank-by fill --report-bindings Dataset: Run Directory: /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/run/oneview_runs/multicore/icx_1/oneview_run_1773746383OMP_NUM_THREADS: 12OMP_PROC_BIND: spreadOMP_DISPLAY_AFFINITY: TRUEOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEOMP_PLACES: threads
Run 8x16	Number processes: 8Number processes per node: 8Run Command: <executable> -x 200 -y 200 -z 200 --xproc=2 --yproc=2 --zproc=2MPI Command: mpirun -n <number_processes> --bind-to core --map-by package:PE=24 --rank-by fill --report-bindings Dataset: Run Directory: /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/run/oneview_runs/multicore/icx_1/oneview_run_1773746383OMP_NUM_THREADS: 16OMP_PROC_BIND: spreadOMP_DISPLAY_AFFINITY: TRUEOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEOMP_PLACES: threads
Run 8x20	Number processes: 8Number processes per node: 8Run Command: <executable> -x 200 -y 200 -z 200 --xproc=2 --yproc=2 --zproc=2MPI Command: mpirun -n <number_processes> --bind-to core --map-by package:PE=24 --rank-by fill --report-bindings Dataset: Run Directory: /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/run/oneview_runs/multicore/icx_1/oneview_run_1773746383OMP_NUM_THREADS: 20OMP_PROC_BIND: spreadOMP_DISPLAY_AFFINITY: TRUEOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEOMP_PLACES: threads
Run 8x24	Number processes: 8Number processes per node: 8Run Command: <executable> -x 200 -y 200 -z 200 --xproc=2 --yproc=2 --zproc=2MPI Command: mpirun -n <number_processes> --bind-to core --map-by package:PE=24 --rank-by fill --report-bindings Dataset: Run Directory: /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/run/oneview_runs/multicore/icx_1/oneview_run_1773746383OMP_NUM_THREADS: 24OMP_PROC_BIND: spreadOMP_DISPLAY_AFFINITY: TRUEOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEOMP_PLACES: threads

(8x1) Efficiency	(8x1) Potential Speed-Up (%)	(8x8) Efficiency	(8x8) Potential Speed-Up (%)	(8x12) Efficiency	(8x12) Potential Speed-Up (%)	(8x16) Efficiency	(8x16) Potential Speed-Up (%)	(8x20) Efficiency	(8x20) Potential Speed-Up (%)	(8x24) Efficiency	(8x24) Potential Speed-Up (%)
1	0	1.57	0	1.24	0	1.07	0	0.96	2.85	0.88	8.33

Speed-Up and Efficiency

▶Detailed Speed-Up and Efficiency

Run	Number of threads	Efficiency (ideal is 1)	Speedup	Ideal Speedup	Time (s)	Coverage (%)
8x1	8	1	1	1	374.51498413086	93.210220336914
8x8	40	1.57	7.86	5	47.790000915527	83.596702575684
8x12	72	1.24	11.16	9	34.860000610352	77.906631469727
8x16	104	1.07	13.91	13	27.709999084473	75.196243286133
8x20	136	0.96	16.3	17	25.324998855591	68.933700561523
8x24	168	0.88	18.38	21	22.470001220703	66.707748413086

Name	Coverage (%)	Time (s)
▼ljForce.extracted–	93.21	373.24
▼Loop 94 - ljForce.c:173-222 - exec–	0.00	0.00
▼Loop 95 - ljForce.c:178-216 - exec–	0.34	1.37
▼Loop 96 - ljForce.c:187-216 - exec–	0.94	3.75
○Loop 97 - ljForce.c:191-216 - exec	91.91	368.01

Report Configuration

Code clean check

Workaround

Vectorization

Details

Workaround

Execution units bottlenecks

FMA

Workaround

CALL instructions

Details

Type of elements and instruction set

Matching between your function (in the source code) and the binary function

Arithmetic intensity

General properties

Front-end

Back-end

Cycles summary

Vectorization ratios

Vector efficiency ratios

Cycles and memory resources usage

Front-end bottlenecks

ASM code

Code clean check

Workaround

Vectorization

Details

Workaround

Execution units bottlenecks

FMA

Workaround

CALL instructions

Details

Type of elements and instruction set

Matching between your function (in the source code) and the binary function

Arithmetic intensity

General properties

Front-end

Back-end

Cycles summary

Vectorization ratios

Vector efficiency ratios

Cycles and memory resources usage

Front-end bottlenecks

ASM code

▶Scalability Runs Description

▼Columns Filter

Speed-Up and Efficiency

▶Detailed Speed-Up and Efficiency