OV - exec - Function ljForce.extracted

	Function: ljForce.extracted	Module: exec	Source: ljForce.c:172-216 [...]	Coverage (incl. loops): 91.76% \| (excl. loops): 0.00%

/home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c: 172 - 216

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

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;

0x40bcb0 PUSH	%RBP

0x40bcb1 MOV	%RSP,%RBP

0x40bcb4 PUSH	%R15

0x40bcb6 PUSH	%R14

0x40bcb8 PUSH	%R13

0x40bcba PUSH	%R12

0x40bcbc PUSH	%RBX

0x40bcbd SUB	$0x58,%RSP

0x40bcc1 MOV	%R9,%R14

0x40bcc4 MOV	%R8,%R13

0x40bcc7 MOV	%RCX,%R12

0x40bcca MOV	%RDX,-0x58(%RBP)

0x40bcce MOV	0x28(%RBP),%EAX

0x40bcd1 MOVL	$0,-0x44(%RBP)

0x40bcd8 MOV	%RDI,-0x68(%RBP)

0x40bcdc MOV	(%RDI),%ESI

0x40bcde MOVL	$0,-0x30(%RBP)

0x40bce5 MOV	%EAX,-0x2c(%RBP)

0x40bce8 MOVL	$0x1,-0x40(%RBP)

0x40bcef SUB	$0x8,%RSP

0x40bcf3 LEA	-0x40(%RBP),%RAX

0x40bcf7 LEA	-0x44(%RBP),%RCX

0x40bcfb LEA	-0x30(%RBP),%R8

0x40bcff LEA	-0x2c(%RBP),%R9

0x40bd03 MOV	$0x42e750,%EDI

0x40bd08 MOV	%ESI,-0x3c(%RBP)

0x40bd0b MOV	$0x22,%EDX

0x40bd10 PUSH	$0x1

0x40bd12 PUSH	$0x1

0x40bd14 PUSH	%RAX

0x40bd15 CALL	403230 <__kmpc_for_static_init_4@plt>

0x40bd1a ADD	$0x20,%RSP

0x40bd1e MOV	-0x30(%RBP),%ECX

0x40bd21 MOV	-0x2c(%RBP),%EAX

0x40bd24 VXORPD	%XMM5,%XMM5,%XMM5

0x40bd28 MOV	%RAX,-0x50(%RBP)

0x40bd2c CMP	%EAX,%ECX

0x40bd2e JBE	40bdae

0x40bd30 MOV	0x30(%RBP),%R15

0x40bd34 VMOVSD	%XMM5,-0x38(%RBP)

0x40bd39 MOV	$0x42e770,%EDI

0x40bd3e MOV	-0x3c(%RBP),%ESI

0x40bd41 CALL	4030f0 <__kmpc_for_static_fini@plt>

0x40bd46 MOV	-0x68(%RBP),%RBX

0x40bd4a MOV	(%RBX),%ESI

0x40bd4c SUB	$0x8,%RSP

0x40bd50 MOV	$0x42fac0,%RAX

0x40bd57 LEA	-0x38(%RBP),%R8

0x40bd5b MOV	$0x42e7b0,%EDI

0x40bd60 MOV	$0x40bca0,%R9D

0x40bd66 MOV	$0x1,%EDX

0x40bd6b MOV	$0x8,%ECX

0x40bd70 PUSH	%RAX

0x40bd71 CALL	403330 <__kmpc_reduce@plt>

0x40bd76 ADD	$0x10,%RSP

0x40bd7a CMP	$0x2,%EAX

0x40bd7d JE	40c086

0x40bd83 CMP	$0x1,%EAX

0x40bd86 JNE	40c0ad

0x40bd8c VMOVSD	-0x38(%RBP),%XMM0

0x40bd91 VADDSD	(%R15),%XMM0,%XMM0

0x40bd96 VMOVSD	%XMM0,(%R15)

0x40bd9b MOV	(%RBX),%ESI

0x40bd9d MOV	$0x42fac0,%RDX

0x40bda4 MOV	$0x42e7d0,%EDI

0x40bda9 JMP	40c0a8

0x40bdae VMOVSD	0x10(%RBP),%XMM0

0x40bdb3 VMOVQ	%R14,%XMM1

0x40bdb8 VMOVQ	%R13,%XMM2

0x40bdbd VMOVQ	%R12,%XMM3

0x40bdc2 MOV	-0x58(%RBP),%RAX

0x40bdc6 MOV	0x18(%RAX),%RAX

0x40bdca MOV	0x78(%RAX),%RDX

0x40bdce MOV	%RDX,-0x60(%RBP)

0x40bdd2 MOV	0x80(%RAX),%RAX

0x40bdd9 MOV	%RAX,-0x70(%RBP)

0x40bddd VMULSD	0x188cb(%RIP),%XMM3,%XMM3

0x40bde5 MOV	%ECX,%EDI

0x40bde7 SAL	$0x6,%EDI

0x40bdea INCQ	-0x50(%RBP)

0x40bdee VXORPD	%XMM4,%XMM4,%XMM4

0x40bdf2 VMOVSD	0x16446(%RIP),%XMM6

0x40bdfa VMOVSD	0x178e6(%RIP),%XMM7

0x40be02 VMOVSD	0x188ae(%RIP),%XMM8

0x40be0a VMOVSD	0x188ae(%RIP),%XMM9

0x40be12 VMOVSD	0x188ae(%RIP),%XMM10

0x40be1a JMP	40be34

0x40be1c NOPL	(%RAX)

(92) 0x40be20 MOV	-0x78(%RBP),%RCX

(92) 0x40be24 INC	%RCX

(92) 0x40be27 ADD	$0x40,%EDI

(92) 0x40be2a CMP	-0x50(%RBP),%RCX

(92) 0x40be2e JE	40bd30

(92) 0x40be34 MOV	%EDI,%EDI

(92) 0x40be36 MOV	-0x60(%RBP),%RAX

(92) 0x40be3a MOV	(%RAX,%RCX,4),%EAX

(92) 0x40be3d MOV	-0x70(%RBP),%RDX

(92) 0x40be41 MOV	(%RDX,%RCX,8),%RDX

(92) 0x40be45 TEST	%EAX,%EAX

(92) 0x40be47 MOV	%RCX,-0x78(%RBP)

(92) 0x40be4b JLE	40bfb0

(92) 0x40be51 SAL	$0x6,%ECX

(92) 0x40be54 ADD	%ECX,%EAX

(92) 0x40be56 LEA	0x1(%RDI),%ECX

(92) 0x40be59 CMP	%ECX,%EAX

(92) 0x40be5b CMOVLE	%ECX,%EAX

(92) 0x40be5e MOV	%EDI,%R9D

(92) 0x40be61 NOT	%R9D

(92) 0x40be64 ADD	%EAX,%R9D

(92) 0x40be67 XOR	%R10D,%R10D

(92) 0x40be6a MOV	%RDX,-0x80(%RBP)

(92) 0x40be6e JMP	40be7d

  (93) 0x40be70 INC	%R10

  (93) 0x40be73 CMP	$0x1b,%R10

  (93) 0x40be77 MOV	-0x80(%RBP),%RDX

  (93) 0x40be7b JE	40be20

  (93) 0x40be7d MOV	(%RDX,%R10,4),%EAX

  (93) 0x40be81 TEST	%EAX,%EAX

  (93) 0x40be83 JS	40c06d

  (93) 0x40be89 MOV	-0x60(%RBP),%RCX

  (93) 0x40be8d MOVSXD	(%RCX,%RAX,4),%RDX

  (93) 0x40be91 TEST	%RDX,%RDX

  (93) 0x40be94 JLE	40be70

  (93) 0x40be96 SAL	$0x6,%EAX

  (93) 0x40be99 MOV	-0x58(%RBP),%RCX

  (93) 0x40be9d MOV	0x20(%RCX),%R14

  (93) 0x40bea1 MOV	0x18(%R14),%R12

  (93) 0x40bea5 CLTQ

  (93) 0x40bea7 ADD	%RAX,%RDX

  (93) 0x40beaa LEA	0x1(%RAX),%RCX

  (93) 0x40beae CMP	%RCX,%RDX

  (93) 0x40beb1 CMOVLE	%RCX,%RDX

  (93) 0x40beb5 SUB	%RAX,%RDX

  (93) 0x40beb8 LEA	(%RAX,%RAX,2),%RAX

  (93) 0x40bebc LEA	(%R12,%RAX,8),%R15

  (93) 0x40bec0 ADD	$0x10,%R15

  (93) 0x40bec4 XOR	%EBX,%EBX

  (93) 0x40bec6 JMP	40bedc

0x40bec8 NOPL	(%RAX,%RAX,1)

    (94) 0x40bed0 LEA	0x1(%RBX),%RAX

    (94) 0x40bed4 CMP	%R9,%RBX

    (94) 0x40bed7 MOV	%RAX,%RBX

    (94) 0x40beda JE	40be70

    (94) 0x40bedc LEA	(%RBX,%RDI,1),%RSI

    (94) 0x40bee0 LEA	(%RSI,%RSI,2),%RCX

    (94) 0x40bee4 LEA	(%R12,%RCX,8),%RAX

    (94) 0x40bee8 MOV	%R15,%R13

    (94) 0x40beeb MOV	%RDX,%R11

    (94) 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

0x40bfa9 NOPL	(%RAX)

(92) 0x40bfb0 CMPL	$0,(%RDX)

(92) 0x40bfb3 JS	40c06d

(92) 0x40bfb9 CMPL	$0,0x4(%RDX)

(92) 0x40bfbd JS	40c06d

(92) 0x40bfc3 CMPL	$0,0x8(%RDX)

(92) 0x40bfc7 JS	40c06d

(92) 0x40bfcd CMPL	$0,0xc(%RDX)

(92) 0x40bfd1 JS	40c06d

(92) 0x40bfd7 CMPL	$0,0x10(%RDX)

(92) 0x40bfdb JS	40c06d

(92) 0x40bfe1 CMPL	$0,0x14(%RDX)

(92) 0x40bfe5 JS	40c06d

(92) 0x40bfeb CMPL	$0,0x18(%RDX)

(92) 0x40bfef JS	40c06d

(92) 0x40bff1 CMPL	$0,0x1c(%RDX)

(92) 0x40bff5 JS	40c06d

(92) 0x40bff7 CMPL	$0,0x20(%RDX)

(92) 0x40bffb JS	40c06d

(92) 0x40bffd CMPL	$0,0x24(%RDX)

(92) 0x40c001 JS	40c06d

(92) 0x40c003 CMPL	$0,0x28(%RDX)

(92) 0x40c007 JS	40c06d

(92) 0x40c009 CMPL	$0,0x2c(%RDX)

(92) 0x40c00d JS	40c06d

(92) 0x40c00f CMPL	$0,0x30(%RDX)

(92) 0x40c013 JS	40c06d

(92) 0x40c015 CMPL	$0,0x34(%RDX)

(92) 0x40c019 JS	40c06d

(92) 0x40c01b CMPL	$0,0x38(%RDX)

(92) 0x40c01f JS	40c06d

(92) 0x40c021 CMPL	$0,0x3c(%RDX)

(92) 0x40c025 JS	40c06d

(92) 0x40c027 CMPL	$0,0x40(%RDX)

(92) 0x40c02b JS	40c06d

(92) 0x40c02d CMPL	$0,0x44(%RDX)

(92) 0x40c031 JS	40c06d

(92) 0x40c033 CMPL	$0,0x48(%RDX)

(92) 0x40c037 JS	40c06d

(92) 0x40c039 CMPL	$0,0x4c(%RDX)

(92) 0x40c03d JS	40c06d

(92) 0x40c03f CMPL	$0,0x50(%RDX)

(92) 0x40c043 JS	40c06d

(92) 0x40c045 CMPL	$0,0x54(%RDX)

(92) 0x40c049 JS	40c06d

(92) 0x40c04b CMPL	$0,0x58(%RDX)

(92) 0x40c04f JS	40c06d

(92) 0x40c051 CMPL	$0,0x5c(%RDX)

(92) 0x40c055 JS	40c06d

(92) 0x40c057 CMPL	$0,0x60(%RDX)

(92) 0x40c05b JS	40c06d

(92) 0x40c05d CMPL	$0,0x64(%RDX)

(92) 0x40c061 JS	40c06d

(92) 0x40c063 CMPL	$0,0x68(%RDX)

(92) 0x40c067 JNS	40be20

0x40c06d MOV	$0x4248ec,%EDI

0x40c072 MOV	$0x4248f4,%ESI

0x40c077 MOV	$0x42494e,%ECX

0x40c07c MOV	$0xb6,%EDX

0x40c081 CALL	4030b0 <__assert_fail@plt>

0x40c086 VMOVSD	-0x38(%RBP),%XMM0

0x40c08b MOV	(%RBX),%ESI

0x40c08d MOV	$0x42e790,%EDI

0x40c092 MOV	%R15,%RDX

0x40c095 CALL	403150 <__kmpc_atomic_float8_add@plt>

0x40c09a MOV	(%RBX),%ESI

0x40c09c MOV	$0x42fac0,%RDX

0x40c0a3 MOV	$0x42e7f0,%EDI

0x40c0a8 CALL	403380 <__kmpc_end_reduce@plt>

0x40c0ad ADD	$0x58,%RSP

0x40c0b1 POP	%RBX

0x40c0b2 POP	%R12

0x40c0b4 POP	%R13

0x40c0b6 POP	%R14

0x40c0b8 POP	%R15

0x40c0ba POP	%RBP

0x40c0bb RET

0x40c0bc NOPL	(%RAX)

Coverage (%)	Name	Source Location	Module
►98.15+	__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
►1.25+	__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
○	__libc_start_call_main		libc.so.6

Coverage (%)	Name	Source Location	Module
►91.25+	__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
►7.43+	__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

Coverage (%)	Name	Source Location	Module
►92.90+	__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
►6.03+	__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

Coverage (%)	Name	Source Location	Module
►94.49+	__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
►5.03+	__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

Coverage (%)	Name	Source Location	Module
►95.27+	__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
►3.83+	__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

Coverage (%)	Name	Source Location	Module
►95.41+	__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
►3.17+	__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

Coverage (%)	Name	Source Location	Module
►96.33+	__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
►2.77+	__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 /

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 0.00% of application time for run 8x1

Source file and lines	ljForce.c:172-216
Module	exec

The function is defined in /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c:172-191,197-216.

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 (13.70x 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►
- /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c:182
__kmpc_atomic_float8_add@plt: 1 occurrences►
- /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c:172
__kmpc_end_reduce@plt: 1 occurrences►
- /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c:172
__kmpc_for_static_fini@plt: 1 occurrences►
- /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c:172
__kmpc_for_static_init_4@plt: 1 occurrences►
- /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c:172
__kmpc_reduce@plt: 1 occurrences►
- /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/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	113
nb uops	115
loop length	466
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: 40bcb0

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
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 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
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 %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%)
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%)
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%)
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 -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	0.25	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	0.25	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	0.25	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	0.25	N/A
MOV $0x42e750,%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 403230 <__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 -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%)
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
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 40bdae <ljForce.extracted+0xfe>	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
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
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%)
MOV $0x42e770,%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 -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%)
CALL 4030f0 <__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 $0x42fac0,%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	0.25	N/A
MOV $0x42e7b0,%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 $0x40bca0,%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 403330 <__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 40c086 <ljForce.extracted+0x3d6>	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
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 40c0ad <ljForce.extracted+0x3fd>	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
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%)
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%)
MOV $0x42fac0,%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 $0x42e7d0,%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
JMP 40c0a8 <ljForce.extracted+0x3f8>	1	0	0	0	0.33	0.33	0.33	0	0	0	0	0	0	0	0	0	0	0	1	N/A
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%)
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%)
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%)
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
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 %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 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 %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%)
VMULSD 0x188cb(%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%)
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
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
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%)
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%)
VMOVSD 0x16446(%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 0x178e6(%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 0x188ae(%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 0x188ae(%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 0x188ae(%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%)
JMP 40be34 <ljForce.extracted+0x184>	1	0	0	0	0.33	0.33	0.33	0	0	0	0	0	0	0	0	0	0	0	1	N/A
NOPL (%RAX)	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.09	N/A
NOPL (%RAX,%RAX,1)	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.09	N/A
NOPL (%RAX)	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.09	N/A
MOV $0x4248ec,%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 $0x4248f4,%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 $0x42494e,%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 4030b0 <__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 $0x42e790,%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 403150 <__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 $0x42fac0,%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 $0x42e7f0,%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 403380 <__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	0.33	N/A
POP %R12	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.33	N/A
POP %R13	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.33	N/A
POP %R14	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.33	N/A
POP %R15	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.33	N/A
POP %RBP	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.33	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
NOPL (%RAX)	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.09	N/A

The code analyzed by CQA in that panel excludes loops and represents 0.00% of application time for run 8x1

Source file and lines	ljForce.c:172-216
Module	exec

The function is defined in /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c:172-191,197-216.

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

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►
- /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c:182
__kmpc_atomic_float8_add@plt: 1 occurrences►
- /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c:172
__kmpc_end_reduce@plt: 1 occurrences►
- /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c:172
__kmpc_for_static_fini@plt: 1 occurrences►
- /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c:172
__kmpc_for_static_init_4@plt: 1 occurrences►
- /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c:172
__kmpc_reduce@plt: 1 occurrences►
- /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/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	113
nb uops	115
loop length	466
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: 40bcb0

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
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 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
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 %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%)
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%)
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%)
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 -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	0.25	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	0.25	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	0.25	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	0.25	N/A
MOV $0x42e750,%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 403230 <__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 -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%)
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
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 40bdae <ljForce.extracted+0xfe>	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
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
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%)
MOV $0x42e770,%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 -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%)
CALL 4030f0 <__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 $0x42fac0,%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	0.25	N/A
MOV $0x42e7b0,%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 $0x40bca0,%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 403330 <__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 40c086 <ljForce.extracted+0x3d6>	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
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 40c0ad <ljForce.extracted+0x3fd>	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
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%)
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%)
MOV $0x42fac0,%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 $0x42e7d0,%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
JMP 40c0a8 <ljForce.extracted+0x3f8>	1	0	0	0	0.33	0.33	0.33	0	0	0	0	0	0	0	0	0	0	0	1	N/A
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%)
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%)
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%)
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
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 %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 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 %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%)
VMULSD 0x188cb(%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%)
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
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
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%)
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%)
VMOVSD 0x16446(%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 0x178e6(%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 0x188ae(%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 0x188ae(%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 0x188ae(%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%)
JMP 40be34 <ljForce.extracted+0x184>	1	0	0	0	0.33	0.33	0.33	0	0	0	0	0	0	0	0	0	0	0	1	N/A
NOPL (%RAX)	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.09	N/A
NOPL (%RAX,%RAX,1)	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.09	N/A
NOPL (%RAX)	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.09	N/A
MOV $0x4248ec,%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 $0x4248f4,%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 $0x42494e,%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 4030b0 <__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 $0x42e790,%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 403150 <__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 $0x42fac0,%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 $0x42e7f0,%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 403380 <__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	0.33	N/A
POP %R12	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.33	N/A
POP %R13	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.33	N/A
POP %R14	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.33	N/A
POP %R15	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.33	N/A
POP %RBP	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.33	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
NOPL (%RAX)	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.09	N/A

▶Scalability Runs Description

Run 8x1	Number processes: 8Number nodes: 1Run Command: <executable> -x 200 -y 200 -z 200 --xproc=2 --yproc=2 --zproc=2MPI Command: mpirun -n <number_processes> Dataset: Run Directory: /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/run/oneview_runs/multicore/icx/oneview_run_1740438801OMP_NUM_THREADS: 1I_MPI_PIN_ORDER: bunchOMP_DISPLAY_AFFINITY: TRUEOMP_PROC_BIND: spreadOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEI_MPI_PIN_DOMAIN: autoI_MPI_DEBUG: 4OMP_PLACES: threads
Run 8x12	Number processes: 8Number nodes: 1Run Command: <executable> -x 200 -y 200 -z 200 --xproc=2 --yproc=2 --zproc=2MPI Command: mpirun -n <number_processes> Dataset: Run Directory: /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/run/oneview_runs/multicore/icx/oneview_run_1740438801OMP_NUM_THREADS: 12I_MPI_PIN_ORDER: bunchOMP_DISPLAY_AFFINITY: TRUEOMP_PROC_BIND: spreadOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEI_MPI_PIN_DOMAIN: autoI_MPI_DEBUG: 4OMP_PLACES: threads
Run 8x16	Number processes: 8Number nodes: 1Run Command: <executable> -x 200 -y 200 -z 200 --xproc=2 --yproc=2 --zproc=2MPI Command: mpirun -n <number_processes> Dataset: Run Directory: /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/run/oneview_runs/multicore/icx/oneview_run_1740438801OMP_NUM_THREADS: 16I_MPI_PIN_ORDER: bunchOMP_DISPLAY_AFFINITY: TRUEOMP_PROC_BIND: spreadOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEI_MPI_PIN_DOMAIN: autoI_MPI_DEBUG: 4OMP_PLACES: threads
Run 8x20	Number processes: 8Number nodes: 1Run Command: <executable> -x 200 -y 200 -z 200 --xproc=2 --yproc=2 --zproc=2MPI Command: mpirun -n <number_processes> Dataset: Run Directory: /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/run/oneview_runs/multicore/icx/oneview_run_1740438801OMP_NUM_THREADS: 20I_MPI_PIN_ORDER: bunchOMP_DISPLAY_AFFINITY: TRUEOMP_PROC_BIND: spreadOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEI_MPI_PIN_DOMAIN: autoI_MPI_DEBUG: 4OMP_PLACES: threads
Run 8x24	Number processes: 8Number nodes: 1Run Command: <executable> -x 200 -y 200 -z 200 --xproc=2 --yproc=2 --zproc=2MPI Command: mpirun -n <number_processes> Dataset: Run Directory: /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/run/oneview_runs/multicore/icx/oneview_run_1740438801OMP_NUM_THREADS: 24I_MPI_PIN_ORDER: bunchOMP_DISPLAY_AFFINITY: TRUEOMP_PROC_BIND: spreadOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEI_MPI_PIN_DOMAIN: autoI_MPI_DEBUG: 4OMP_PLACES: threads
Run 8x28	Number processes: 8Number nodes: 1Run Command: <executable> -x 200 -y 200 -z 200 --xproc=2 --yproc=2 --zproc=2MPI Command: mpirun -n <number_processes> Dataset: Run Directory: /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/run/oneview_runs/multicore/icx/oneview_run_1740438801OMP_NUM_THREADS: 28I_MPI_PIN_ORDER: bunchOMP_DISPLAY_AFFINITY: TRUEOMP_PROC_BIND: spreadOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEI_MPI_PIN_DOMAIN: autoI_MPI_DEBUG: 4OMP_PLACES: threads
Run 8x32	Number processes: 8Number nodes: 1Run Command: <executable> -x 200 -y 200 -z 200 --xproc=2 --yproc=2 --zproc=2MPI Command: mpirun -n <number_processes> Dataset: Run Directory: /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/run/oneview_runs/multicore/icx/oneview_run_1740438801OMP_NUM_THREADS: 32I_MPI_PIN_ORDER: bunchOMP_DISPLAY_AFFINITY: TRUEOMP_PROC_BIND: spreadOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEI_MPI_PIN_DOMAIN: autoI_MPI_DEBUG: 4OMP_PLACES: threads

(8x1) Efficiency	(8x1) 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 (%)	(8x28) Efficiency	(8x28) Potential Speed-Up (%)	(8x32) Efficiency	(8x32) Potential Speed-Up (%)
1	0	0.99	1.14	0.97	1.92	0.96	2.6	0.92	5.49	0.87	8.14	0.85	9.5

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	470.4599609375	91.758316040039
8x12	96	0.99	11.83	12	41.059993743896	78.080429077148
8x16	128	0.97	15.59	16	30.459999084473	75.666221618652
8x20	160	0.96	19.24	20	27.159996032715	68.058334350586
8x24	192	0.92	22.04	24	23.215000152588	67.218894958496
8x28	224	0.87	24.49	28	20.974992752075	65.001998901367
8x32	256	0.85	27.11	32	19.634996414185	62.170146942139

Name	Coverage (%)	Time (s)
▼ljForce.extracted–	91.76	457.41
▼Loop 92 - ljForce.c:172-216 - exec–	0.01	0.05
▼Loop 93 - ljForce.c:178-216 - exec–	0.24	1.22
▼Loop 94 - ljForce.c:187-216 - exec–	1.33	6.63
○Loop 95 - ljForce.c:191-216 - exec	90.17	449.26

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