OV - exec - Function putAtomInBox

	Function: putAtomInBox	Module: exec	Source: linkCells.c:173-378 [...]	Coverage (incl. loops): 0.11% \| (excl. loops): 0.02%

/home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c: 173 - 378

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

173: {

174:    real_t xyz[3] = {x,y,z};

175:

176:    // Find correct box.

177:    int iBox = getBoxFromCoord(boxes, xyz);

178:    int iOff = iBox*MAXATOMS;

179:    iOff += boxes->nAtoms[iBox];

180:

181:    // assign values to array elements

182:    if (iBox < boxes->nLocalBoxes)

183:       atoms->nLocal++;

184:    boxes->nAtoms[iBox]++;

185:    atoms->gid[iOff] = gid;

186:    atoms->iSpecies[iOff] = iType;

187:

188:    atoms->r[iOff][0] = x;

189:    atoms->r[iOff][1] = y;

190:    atoms->r[iOff][2] = z;

191:

192:    atoms->p[iOff][0] = px;

193:    atoms->p[iOff][1] = py;

194:    atoms->p[iOff][2] = pz;

195: }

[...]

352:    int ix = (int)(floor((rr[0] - localMin[0])*boxes->invBoxSize[0]));

353:    int iy = (int)(floor((rr[1] - localMin[1])*boxes->invBoxSize[1]));

354:    int iz = (int)(floor((rr[2] - localMin[2])*boxes->invBoxSize[2]));

355:

356:

357:    // For each axis, if we are inside the local domain, make sure we get

358:    // a local link cell.  Otherwise, make sure we get a halo link cell.

359:    if (rr[0] < localMax[0])

360:    {

361:       if (ix == gridSize[0]) ix = gridSize[0] - 1;

362:    }

363:    else

364:       ix = gridSize[0]; // assign to halo cell

365:    if (rr[1] < localMax[1])

[...]

371:    if (rr[2] < localMax[2])

[...]

378:    return getBoxFromTuple(boxes, ix, iy, iz);

0x40b120 PUSH	%RBP

0x40b121 MOV	%RSP,%RBP

0x40b124 PUSH	%R15

0x40b126 PUSH	%R14

0x40b128 PUSH	%R12

0x40b12a PUSH	%RBX

0x40b12b SUB	$0x40,%RSP

0x40b12f VMOVSD	%XMM5,-0x40(%RBP)

0x40b134 VMOVSD	%XMM4,-0x38(%RBP)

0x40b139 VMOVSD	%XMM3,-0x30(%RBP)

0x40b13e MOV	%ECX,%EBX

0x40b140 MOV	%RDI,%R12

0x40b143 VUNPCKLPD	%XMM2,%XMM1,%XMM3

0x40b147 VSUBPD	0x20(%RDI),%XMM3,%XMM3

0x40b14c VMULPD	0x68(%RDI),%XMM3,%XMM3

0x40b151 MOV	%EDX,%R15D

0x40b154 VROUNDPD	$0x9,%XMM3,%XMM3

0x40b15a VCVTTPD2DQ	%XMM3,%XMM4

0x40b15e MOV	%RSI,%R14

0x40b161 VUCOMISD	0x30(%RDI),%XMM0

0x40b166 MOV	(%RDI),%ESI

0x40b168 VMOVSD	%XMM0,-0x28(%RBP)

0x40b16d JAE	40b191

0x40b16f VSUBSD	0x18(%R12),%XMM0,%XMM3

0x40b176 VMULSD	0x60(%R12),%XMM3,%XMM3

0x40b17d VROUNDSD	$0x9,%XMM3,%XMM3,%XMM3

0x40b183 VCVTTSD2SI	%XMM3,%EAX

0x40b187 CMP	%EAX,%ESI

0x40b189 LEA	-0x1(%RSI),%ECX

0x40b18c CMOVNE	%EAX,%ECX

0x40b18f MOV	%ECX,%ESI

0x40b191 MOV	0x4(%R12),%RAX

0x40b196 VMOVQ	%RAX,%XMM3

0x40b19b LEA	-0x1(%RAX),%ECX

0x40b19e VPCMPEQD	%XMM4,%XMM3,%K0

0x40b1a4 KMOVD	%K0,%EDI

0x40b1a8 VMOVD	%XMM4,%EDX

0x40b1ac TEST	$0x1,%DIL

0x40b1b0 CMOVNE	%ECX,%EDX

0x40b1b3 VMOVUPD	%XMM1,-0x50(%RBP)

0x40b1b8 VUCOMISD	0x38(%R12),%XMM1

0x40b1bf CMOVAE	%EAX,%EDX

0x40b1c2 SHR	$0x20,%RAX

0x40b1c6 VPEXTRD	$0x1,%XMM4,%ECX

0x40b1cc LEA	-0x1(%RAX),%R8D

0x40b1d0 TEST	$0x2,%DIL

0x40b1d4 CMOVNE	%R8D,%ECX

0x40b1d8 VMOVUPD	%XMM2,-0x60(%RBP)

0x40b1dd VUCOMISD	0x40(%R12),%XMM2

0x40b1e4 CMOVAE	%EAX,%ECX

0x40b1e7 MOV	%R12,%RDI

0x40b1ea CALL	40b000 <getBoxFromTuple>

0x40b1ef MOV	0x78(%R12),%RCX

0x40b1f4 MOV	%EAX,%EDX

0x40b1f6 MOV	(%RCX,%RDX,4),%ESI

0x40b1f9 MOV	%ESI,%EDI

0x40b1fb CMP	0xc(%R12),%EAX

0x40b200 JGE	40b208

0x40b202 INCL	(%R14)

0x40b205 MOV	(%RCX,%RDX,4),%EDI

0x40b208 MOV	%EDX,%EAX

0x40b20a SAL	$0x6,%EAX

0x40b20d ADD	%EAX,%ESI

0x40b20f INC	%EDI

0x40b211 MOV	%EDI,(%RCX,%RDX,4)

0x40b214 MOV	0x8(%R14),%RAX

0x40b218 MOVSXD	%ESI,%RCX

0x40b21b MOV	%R15D,(%RAX,%RCX,4)

0x40b21f MOV	0x10(%R14),%RAX

0x40b223 MOV	%EBX,(%RAX,%RCX,4)

0x40b226 MOV	0x18(%R14),%RAX

0x40b22a SAL	$0x3,%RCX

0x40b22e LEA	(%RCX,%RCX,2),%RCX

0x40b232 VMOVSD	-0x28(%RBP),%XMM0

0x40b237 VMOVSD	%XMM0,(%RAX,%RCX,1)

0x40b23c VMOVUPS	-0x50(%RBP),%XMM0

0x40b241 VMOVSD	%XMM0,0x8(%RAX,%RCX,1)

0x40b247 VMOVUPS	-0x60(%RBP),%XMM0

0x40b24c VMOVSD	%XMM0,0x10(%RAX,%RCX,1)

0x40b252 MOV	0x20(%R14),%RAX

0x40b256 VMOVSD	-0x30(%RBP),%XMM0

0x40b25b VMOVSD	%XMM0,(%RAX,%RCX,1)

0x40b260 VMOVSD	-0x38(%RBP),%XMM0

0x40b265 VMOVSD	%XMM0,0x8(%RAX,%RCX,1)

0x40b26b VMOVSD	-0x40(%RBP),%XMM0

0x40b270 VMOVSD	%XMM0,0x10(%RAX,%RCX,1)

0x40b276 ADD	$0x40,%RSP

0x40b27a POP	%RBX

0x40b27b POP	%R12

0x40b27d POP	%R14

0x40b27f POP	%R15

0x40b281 POP	%RBP

0x40b282 RET

0x40b283 NOPW	%CS:(%RAX,%RAX,1)

Coverage (%)	Name	Source Location	Module
►13.81+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►13.24+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►12.91+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►12.68+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►12.68+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►12.57+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►4.27+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►2.81+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►2.81+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►2.02+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►1.68+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►1.68+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►1.57+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►1.46+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►1.23+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►1.12+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec

Coverage (%)	Name	Source Location	Module
►13.07+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►12.18+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►11.84+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►11.51+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►10.95+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►8.60+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►4.92+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►3.35+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►2.79+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►2.79+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►2.35+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►2.23+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►2.12+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►2.01+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►1.90+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►1.56+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►1.12+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec

Coverage (%)	Name	Source Location	Module
►13.00+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►12.03+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►12.03+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►11.71+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►10.85+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►10.85+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►3.97+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►3.44+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►3.33+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►3.01+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►2.69+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►2.69+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►2.36+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►2.36+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►2.26+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►2.04+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec

Coverage (%)	Name	Source Location	Module
►12.39+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►11.86+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►11.75+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►11.64+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►10.90+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►9.40+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►4.81+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►4.70+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►3.10+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►2.99+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►2.88+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►2.88+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►2.67+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►2.35+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►2.35+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►1.82+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec

Coverage (%)	Name	Source Location	Module
►13.54+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►12.68+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►10.62+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►10.40+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►10.29+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►9.75+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►4.23+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►3.90+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►3.79+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►3.36+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►2.93+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►2.82+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►2.82+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►2.71+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►2.49+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►2.27+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec

Coverage (%)	Name	Source Location	Module
►12.92+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►11.17+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►10.40+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►10.30+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►10.19+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►8.98+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►4.93+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►4.27+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►4.05+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►3.94+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►3.61+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►3.51+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►3.39+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►3.29+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►2.19+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►1.64+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec

Coverage (%)	Name	Source Location	Module
►11.83+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►11.40+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►10.77+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►10.03+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►9.82+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►9.61+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►4.75+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►4.54+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►4.54+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►4.43+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►4.12+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►3.17+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►2.96+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►2.96+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►2.43+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		exec
►1.58+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start		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 0.02% of application time for run 8x1

Source file and lines	linkCells.c:173-378
Module	exec

The function is defined in /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:173-195,352-365,371,378.

This function has 4 execution paths.

The presence of multiple execution paths is typically the main/first bottleneck.
Try to simplify control inside function: ideally, try to remove all conditional expressions, for example by (if applicable):

hoisting them (moving them outside the function)
turning them into conditional moves, MIN or MAX

Ex: if (x<0) x=0 => x = (x<0 ? 0 : x) (or MAX(0,x) after defining the corresponding macro)

gain
potential
hint
expert

Vectorization

Your function is poorly vectorized. Only 13% of vector register length is used (average across all SSE/AVX instructions). By fully vectorizing your function, you can lower the cost of an iteration from 11.69 to 1.19 cycles (9.84x speedup).

Details

22% of SSE/AVX instructions are used in vector version (process two or more data elements in vector registers):

27% of SSE/AVX loads are used in vector version.
12% of SSE/AVX stores are used in vector version.
50% of SSE/AVX addition or subtraction instructions are used in vector version.
75% of SSE/AVX multiply instructions are used in vector version.
20% of SSE/AVX instructions that are not load, store, addition, subtraction nor multiply instructions are used in vector version.

Since your execution units are vector units, only a fully 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)

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.

getBoxFromTuple: 0 occurrences

Complex instructions

Detected COMPLEX INSTRUCTIONS.

Details

These instructions generate more than one micro-operation and only one of them can be decoded during a cycle and the extra micro-operations increase pressure on execution units.

VCVTTSD2SI: 0 occurrences
VPEXTRD: 0 occurrences
VUCOMISD: 0 occurrences

Conversion instructions

Detected expensive conversion instructions.

Details

VCVTTPD2DQ (FP64 to INT32, SIMD): 0 occurrences
VCVTTSD2SI (FP64 to INT32/64, scalar): 0 occurrences

Workaround

Avoid mixing data with different types. In particular, check if the type of constants is the same as array elements.

Type of elements and instruction set

4 SSE or AVX instructions are processing arithmetic or math operations on double precision FP elements in scalar mode (one at a time). 3 SSE or AVX instructions are processing arithmetic or math operations on double precision FP elements in vector mode (two at a time).

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

The binary function is composed of 5 FP arithmetical operations:

2.50: addition or subtraction
2.50: multiply

The binary function is loading 192 bytes (24 double precision FP elements). The binary function is storing 126 bytes (15 double precision FP elements).

Arithmetic intensity

Arithmetic intensity is 0.02 FP operations per loaded or stored byte.

General properties

nb instructions	88
nb uops	93.50
loop length	335
used x86 registers	12
used mmx registers	0
used xmm registers	6
used ymm registers	0
used zmm registers	0
nb stack references	6
ADD-SUB / MUL ratio	1.00

Front-end

MACRO FUSION NOT POSSIBLE

micro-operation queue	11.69 cycles
front end	11.69 cycles

Back-end

	P0	P1	P2	P3	P4	P5	P6	P7	P8	P9	P10	P11	P12	P13	P14	P15
uops	4.17	4.17	4.17	4.17	4.17	4.17	9.50	9.50	9.50	9.50	2.25	2.25	3.75	3.75	9.25	9.25
cycles	4.17	4.17	4.17	4.17	4.17	4.17	9.50	9.50	9.50	9.50	2.25	2.25	3.75	3.75	9.25	9.25

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	11.69
Dispatch	9.50
Overall L1	11.69

Vectorization ratios

INT

all	8%
load	0%
store	0%
mul	NA (no mul vectorizable/vectorized instructions)
add-sub	0%
fma	NA (no fma vectorizable/vectorized instructions)
other	13%

all	28%
load	33%
store	16%
mul	75%
add-sub	75%
fma	NA (no fma vectorizable/vectorized instructions)
div/sqrt	NA (no div/sqrt vectorizable/vectorized instructions)
other	29%

INT+FP

all	22%
load	27%
store	12%
mul	75%
add-sub	50%
fma	NA (no fma vectorizable/vectorized instructions)
div/sqrt	NA (no div/sqrt vectorizable/vectorized instructions)
other	20%

Vector efficiency ratios

INT

all	8%
load	6%
store	6%
mul	NA (no mul vectorizable/vectorized instructions)
add-sub	6%
fma	NA (no fma vectorizable/vectorized instructions)
other	9%

all	16%
load	16%
store	14%
mul	21%
add-sub	21%
fma	NA (no fma vectorizable/vectorized instructions)
div/sqrt	NA (no div/sqrt vectorizable/vectorized instructions)
other	16%

INT+FP

all	13%
load	14%
store	12%
mul	21%
add-sub	17%
fma	NA (no fma vectorizable/vectorized instructions)
div/sqrt	NA (no div/sqrt vectorizable/vectorized instructions)
other	12%

Cycles and memory resources usage

Assuming all data fit into the L1 cache, each call to the function takes 11.69 cycles. At this rate:

6% of peak load performance is reached (16.43 out of 256.00 bytes loaded per cycle (GB/s @ 1GHz))
8% of peak store performance is reached (10.81 out of 128.00 bytes stored per cycle (GB/s @ 1GHz))

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

Source file and lines	linkCells.c:173-378
Module	exec

hoisting them (moving them outside the function)
turning them into conditional moves, MIN or MAX

Ex: if (x<0) x=0 => x = (x<0 ? 0 : x) (or MAX(0,x) after defining the corresponding macro)

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 12.38 to 9.00 cycles (1.37x speedup).

Workaround

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

Vectorization

Details

21% of SSE/AVX instructions are used in vector version (process two or more data elements in vector registers):

26% of SSE/AVX loads are used in vector version.
12% of SSE/AVX stores are used in vector version.
50% of SSE/AVX addition or subtraction instructions are used in vector version.
50% of SSE/AVX multiply instructions are used in vector version.
18% of SSE/AVX instructions that are not load, store, addition, subtraction nor multiply instructions are used in vector version.

Since your execution units are vector units, only a fully 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

getBoxFromTuple: 1 occurrences►
- /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:378

Complex instructions

Detected COMPLEX INSTRUCTIONS.

Details

These instructions generate more than one micro-operation and only one of them can be decoded during a cycle and the extra micro-operations increase pressure on execution units.

VCVTTSD2SI: 1 occurrences►
- /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:352
VPEXTRD: 1 occurrences►
- /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:371
VUCOMISD: 3 occurrences►
- /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:359
- /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:365
- /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:371

Conversion instructions

Detected expensive conversion instructions.

Details

VCVTTPD2DQ (FP64 to INT32, SIMD): 1 occurrences►
- /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:354
VCVTTSD2SI (FP64 to INT32/64, scalar): 1 occurrences►
- /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:352

Workaround

Avoid mixing data with different types. In particular, check if the type of constants is the same as array elements.

Type of elements and instruction set

6 SSE or AVX instructions are processing arithmetic or math operations on double precision FP elements in scalar mode (one at a time). 3 SSE or AVX instructions are processing arithmetic or math operations on double precision FP elements in vector mode (two at a time).

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

The binary function is composed of 6 FP arithmetical operations:

3: addition or subtraction
3: multiply

The binary function is loading 204 bytes (25 double precision FP elements). The binary function is storing 128 bytes (16 double precision FP elements).

Arithmetic intensity

Arithmetic intensity is 0.02 FP operations per loaded or stored byte.

General properties

nb instructions	93
nb uops	99
loop length	355
used x86 registers	12
used mmx registers	0
used xmm registers	6
used ymm registers	0
used zmm registers	0
nb stack references	6
ADD-SUB / MUL ratio	1.00

Front-end

MACRO FUSION NOT POSSIBLE FIT IN UOP CACHE

micro-operation queue	12.38 cycles
front end	12.38 cycles

Back-end

	P0	P1	P2	P3	P4	P5	P6	P7	P8	P9	P10	P11	P12	P13	P14	P15
uops	4.50	4.50	4.50	4.50	4.50	4.50	10.00	10.00	10.00	10.00	2.50	2.50	4.50	4.50	9.50	9.50
cycles	4.50	4.50	4.50	4.50	4.50	4.50	10.00	10.00	10.00	10.00	2.50	2.50	4.50	4.50	9.50	9.50

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	12.38
Dispatch	10.00
Overall L1	12.38

Vectorization ratios

INT

all	8%
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	12%

all	26%
load	30%
store	16%
mul	50%
add-sub	50%
fma	NA (no fma vectorizable/vectorized instructions)
div/sqrt	NA (no div/sqrt vectorizable/vectorized instructions)
other	25%

INT+FP

all	21%
load	26%
store	12%
mul	50%
add-sub	50%
fma	NA (no fma vectorizable/vectorized instructions)
div/sqrt	NA (no div/sqrt vectorizable/vectorized instructions)
other	18%

Vector efficiency ratios

INT

all	8%
load	6%
store	6%
mul	NA (no mul vectorizable/vectorized instructions)
add-sub	NA (no add-sub vectorizable/vectorized instructions)
fma	NA (no fma vectorizable/vectorized instructions)
other	9%

all	15%
load	16%
store	14%
mul	18%
add-sub	18%
fma	NA (no fma vectorizable/vectorized instructions)
div/sqrt	NA (no div/sqrt vectorizable/vectorized instructions)
other	15%

INT+FP

all	13%
load	15%
store	12%
mul	18%
add-sub	18%
fma	NA (no fma vectorizable/vectorized instructions)
div/sqrt	NA (no div/sqrt vectorizable/vectorized instructions)
other	12%

Cycles and memory resources usage

Assuming all data fit into the L1 cache, each call to the function takes 12.38 cycles. At this rate:

6% of peak load performance is reached (16.48 out of 256.00 bytes loaded per cycle (GB/s @ 1GHz))
8% of peak store performance is reached (10.34 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 12.38 to 10.00 cycles (1.24x speedup).

ASM code

In the binary file, the address of the function is: 40b120

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 %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 $0x40,%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
VMOVSD %XMM5,-0x40(%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%)
VMOVSD %XMM4,-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%)
VMOVSD %XMM3,-0x30(%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 %ECX,%EBX	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	scal (6.3%)
MOV %RDI,%R12	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	N/A
VUNPCKLPD %XMM2,%XMM1,%XMM3	1	0	0	0	0	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	1	0.25	scal (12.5%)
VSUBPD 0x20(%RDI),%XMM3,%XMM3	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	vect (25.0%)
VMULPD 0x68(%RDI),%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	vect (25.0%)
MOV %EDX,%R15D	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	scal (6.3%)
VROUNDPD $0x9,%XMM3,%XMM3	1	0	0	0	0	0	0	0	0	0	0	0	0	0.50	0.50	0	0	3	0.50	vect (25.0%)
VCVTTPD2DQ %XMM3,%XMM4	1	0	0	0	0	0	0	0	0	0	0	0	0	0.50	0.50	0	0	3	0.50	vect (25.0%)
MOV %RSI,%R14	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	N/A
VUCOMISD 0x30(%RDI),%XMM0	2	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0.50	0.50	0.50	0.50	6	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	N/A
VMOVSD %XMM0,-0x28(%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%)
JAE 40b191 <putAtomInBox+0x71>	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
VSUBSD 0x18(%R12),%XMM0,%XMM3	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%)
VMULSD 0x60(%R12),%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%)
VROUNDSD $0x9,%XMM3,%XMM3,%XMM3	1	0	0	0	0	0	0	0	0	0	0	0	0	0.50	0.50	0	0	3	0.50	scal (12.5%)
VCVTTSD2SI %XMM3,%EAX	2	0	0	0	0	0	0	0	0	0	0	0	0	0.50	0.50	0.50	0.50	4	0.50	scal (12.5%)
CMP %EAX,%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%)
LEA -0x1(%RSI),%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	0.25	N/A
CMOVNE %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	N/A
MOV %ECX,%ESI	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	N/A
MOV 0x4(%R12),%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 %RAX,%XMM3	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	2	1	scal (12.5%)
LEA -0x1(%RAX),%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	0.25	N/A
VPCMPEQD %XMM4,%XMM3,%K0	1	0	0	0	0	0	0	0	0	0	0	0	0.50	0.50	0	0	0	3	0.50	vect (25.0%)
KMOVD %K0,%EDI	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.50	0.50	4	1	N/A
VMOVD %XMM4,%EDX	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.50	0.50	5	0.50	scal (6.3%)
TEST $0x1,%DIL	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
CMOVNE %ECX,%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	N/A
VMOVUPD %XMM1,-0x50(%RBP)	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0.50	0.50	4	0.50	vect (25.0%)
VUCOMISD 0x38(%R12),%XMM1	2	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0.50	0.50	0.50	0.50	6	0.50	scal (12.5%)
CMOVAE %EAX,%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	N/A
SHR $0x20,%RAX	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
VPEXTRD $0x1,%XMM4,%ECX	2	0	0	0	0	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0.50	0.50	6	0.50	scal (6.3%)
LEA -0x1(%RAX),%R8D	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
TEST $0x2,%DIL	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
CMOVNE %R8D,%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	N/A
VMOVUPD %XMM2,-0x60(%RBP)	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0.50	0.50	4	0.50	vect (25.0%)
VUCOMISD 0x40(%R12),%XMM2	2	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0.50	0.50	0.50	0.50	6	0.50	scal (12.5%)
CMOVAE %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	N/A
MOV %R12,%RDI	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	N/A
CALL 40b000 <getBoxFromTuple>	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 0x78(%R12),%RCX	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 %EAX,%EDX	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	N/A
MOV (%RCX,%RDX,4),%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	N/A
MOV %ESI,%EDI	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	N/A
CMP 0xc(%R12),%EAX	1	0.17	0.17	0.17	0.17	0.17	0.17	0.25	0.25	0.25	0.25	0	0	0	0	0	0	1	0.25	scal (6.3%)
JGE 40b208 <putAtomInBox+0xe8>	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
INCL (%R14)	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 (6.3%)
MOV (%RCX,%RDX,4),%EDI	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 %EDX,%EAX	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	N/A
SAL $0x6,%EAX	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
ADD %EAX,%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	N/A
INC %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 %EDI,(%RCX,%RDX,4)	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 0x8(%R14),%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
MOVSXD %ESI,%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
MOV %R15D,(%RAX,%RCX,4)	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 0x10(%R14),%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 %EBX,(%RAX,%RCX,4)	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 0x18(%R14),%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
SAL $0x3,%RCX	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
LEA (%RCX,%RCX,2),%RCX	1	0.17	0.17	0.17	0.17	0.17	0.17	0	0	0	0	0	0	0	0	0	0	1	0.25	N/A
VMOVSD -0x28(%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 %XMM0,(%RAX,%RCX,1)	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%)
VMOVUPS -0x50(%RBP),%XMM0	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	3	0.50	vect (25.0%)
VMOVSD %XMM0,0x8(%RAX,%RCX,1)	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%)
VMOVUPS -0x60(%RBP),%XMM0	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	3	0.50	vect (25.0%)
VMOVSD %XMM0,0x10(%RAX,%RCX,1)	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 0x20(%R14),%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
VMOVSD -0x30(%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 %XMM0,(%RAX,%RCX,1)	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%)
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%)
VMOVSD %XMM0,0x8(%RAX,%RCX,1)	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%)
VMOVSD -0x40(%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 %XMM0,0x10(%RAX,%RCX,1)	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%)
ADD $0x40,%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 %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

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

Source file and lines	linkCells.c:173-378
Module	exec

hoisting them (moving them outside the function)
turning them into conditional moves, MIN or MAX

Ex: if (x<0) x=0 => x = (x<0 ? 0 : x) (or MAX(0,x) after defining the corresponding macro)

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 12.13 to 9.00 cycles (1.35x speedup).

Workaround

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

Vectorization

Details

21% of SSE/AVX instructions are used in vector version (process two or more data elements in vector registers):

28% of SSE/AVX loads are used in vector version.
13% of SSE/AVX stores are used in vector version.
50% of SSE/AVX addition or subtraction instructions are used in vector version.
50% of SSE/AVX multiply instructions are used in vector version.
18% of SSE/AVX instructions that are not load, store, addition, subtraction nor multiply instructions are used in vector version.

Since your execution units are vector units, only a fully 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

getBoxFromTuple: 1 occurrences►
- /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:378

Complex instructions

Detected COMPLEX INSTRUCTIONS.

Details

These instructions generate more than one micro-operation and only one of them can be decoded during a cycle and the extra micro-operations increase pressure on execution units.

VCVTTSD2SI: 1 occurrences►
- /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:352
VPEXTRD: 1 occurrences►
- /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:371
VUCOMISD: 3 occurrences►
- /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:359
- /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:365
- /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:371

Conversion instructions

Detected expensive conversion instructions.

Details

VCVTTPD2DQ (FP64 to INT32, SIMD): 1 occurrences►
- /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:354
VCVTTSD2SI (FP64 to INT32/64, scalar): 1 occurrences►
- /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:352

Workaround

Avoid mixing data with different types. In particular, check if the type of constants is the same as array elements.

Type of elements and instruction set

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

The binary function is composed of 6 FP arithmetical operations:

3: addition or subtraction
3: multiply

The binary function is loading 196 bytes (24 double precision FP elements). The binary function is storing 124 bytes (15 double precision FP elements).

Arithmetic intensity

Arithmetic intensity is 0.02 FP operations per loaded or stored byte.

General properties

nb instructions	91
nb uops	97
loop length	349
used x86 registers	12
used mmx registers	0
used xmm registers	6
used ymm registers	0
used zmm registers	0
nb stack references	6
ADD-SUB / MUL ratio	1.00

Front-end

MACRO FUSION NOT POSSIBLE FIT IN UOP CACHE

micro-operation queue	12.13 cycles
front end	12.13 cycles

Back-end

	P0	P1	P2	P3	P4	P5	P6	P7	P8	P9	P10	P11	P12	P13	P14	P15
uops	4.33	4.33	4.33	4.33	4.33	4.33	9.50	9.50	9.50	9.50	2.50	2.50	4.50	4.50	9.50	9.50
cycles	4.33	4.33	4.33	4.33	4.33	4.33	9.50	9.50	9.50	9.50	2.50	2.50	4.50	4.50	9.50	9.50

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	12.13
Dispatch	9.50
Overall L1	12.13

Vectorization ratios

INT

all	9%
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	12%

all	26%
load	30%
store	16%
mul	50%
add-sub	50%
fma	NA (no fma vectorizable/vectorized instructions)
div/sqrt	NA (no div/sqrt vectorizable/vectorized instructions)
other	25%

INT+FP

all	21%
load	28%
store	13%
mul	50%
add-sub	50%
fma	NA (no fma vectorizable/vectorized instructions)
div/sqrt	NA (no div/sqrt vectorizable/vectorized instructions)
other	18%

Vector efficiency ratios

INT

all	8%
load	6%
store	6%
mul	NA (no mul vectorizable/vectorized instructions)
add-sub	NA (no add-sub vectorizable/vectorized instructions)
fma	NA (no fma vectorizable/vectorized instructions)
other	9%

all	15%
load	16%
store	14%
mul	18%
add-sub	18%
fma	NA (no fma vectorizable/vectorized instructions)
div/sqrt	NA (no div/sqrt vectorizable/vectorized instructions)
other	15%

INT+FP

all	13%
load	15%
store	12%
mul	18%
add-sub	18%
fma	NA (no fma vectorizable/vectorized instructions)
div/sqrt	NA (no div/sqrt vectorizable/vectorized instructions)
other	12%

Cycles and memory resources usage

Assuming all data fit into the L1 cache, each call to the function takes 12.13 cycles. At this rate:

6% of peak load performance is reached (16.16 out of 256.00 bytes loaded per cycle (GB/s @ 1GHz))
7% of peak store performance is reached (10.23 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: 40b120

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 %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 $0x40,%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
VMOVSD %XMM5,-0x40(%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%)
VMOVSD %XMM4,-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%)
VMOVSD %XMM3,-0x30(%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 %ECX,%EBX	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	scal (6.3%)
MOV %RDI,%R12	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	N/A
VUNPCKLPD %XMM2,%XMM1,%XMM3	1	0	0	0	0	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	1	0.25	scal (12.5%)
VSUBPD 0x20(%RDI),%XMM3,%XMM3	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	vect (25.0%)
VMULPD 0x68(%RDI),%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	vect (25.0%)
MOV %EDX,%R15D	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	scal (6.3%)
VROUNDPD $0x9,%XMM3,%XMM3	1	0	0	0	0	0	0	0	0	0	0	0	0	0.50	0.50	0	0	3	0.50	vect (25.0%)
VCVTTPD2DQ %XMM3,%XMM4	1	0	0	0	0	0	0	0	0	0	0	0	0	0.50	0.50	0	0	3	0.50	vect (25.0%)
MOV %RSI,%R14	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	N/A
VUCOMISD 0x30(%RDI),%XMM0	2	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0.50	0.50	0.50	0.50	6	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	N/A
VMOVSD %XMM0,-0x28(%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%)
JAE 40b191 <putAtomInBox+0x71>	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
VSUBSD 0x18(%R12),%XMM0,%XMM3	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%)
VMULSD 0x60(%R12),%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%)
VROUNDSD $0x9,%XMM3,%XMM3,%XMM3	1	0	0	0	0	0	0	0	0	0	0	0	0	0.50	0.50	0	0	3	0.50	scal (12.5%)
VCVTTSD2SI %XMM3,%EAX	2	0	0	0	0	0	0	0	0	0	0	0	0	0.50	0.50	0.50	0.50	4	0.50	scal (12.5%)
CMP %EAX,%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%)
LEA -0x1(%RSI),%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	0.25	N/A
CMOVNE %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	N/A
MOV %ECX,%ESI	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	N/A
MOV 0x4(%R12),%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 %RAX,%XMM3	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	2	1	scal (12.5%)
LEA -0x1(%RAX),%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	0.25	N/A
VPCMPEQD %XMM4,%XMM3,%K0	1	0	0	0	0	0	0	0	0	0	0	0	0.50	0.50	0	0	0	3	0.50	vect (25.0%)
KMOVD %K0,%EDI	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.50	0.50	4	1	N/A
VMOVD %XMM4,%EDX	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.50	0.50	5	0.50	scal (6.3%)
TEST $0x1,%DIL	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
CMOVNE %ECX,%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	N/A
VMOVUPD %XMM1,-0x50(%RBP)	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0.50	0.50	4	0.50	vect (25.0%)
VUCOMISD 0x38(%R12),%XMM1	2	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0.50	0.50	0.50	0.50	6	0.50	scal (12.5%)
CMOVAE %EAX,%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	N/A
SHR $0x20,%RAX	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
VPEXTRD $0x1,%XMM4,%ECX	2	0	0	0	0	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0.50	0.50	6	0.50	scal (6.3%)
LEA -0x1(%RAX),%R8D	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
TEST $0x2,%DIL	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
CMOVNE %R8D,%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	N/A
VMOVUPD %XMM2,-0x60(%RBP)	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0.50	0.50	4	0.50	vect (25.0%)
VUCOMISD 0x40(%R12),%XMM2	2	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0.50	0.50	0.50	0.50	6	0.50	scal (12.5%)
CMOVAE %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	N/A
MOV %R12,%RDI	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	N/A
CALL 40b000 <getBoxFromTuple>	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 0x78(%R12),%RCX	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 %EAX,%EDX	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	N/A
MOV (%RCX,%RDX,4),%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	N/A
MOV %ESI,%EDI	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	N/A
CMP 0xc(%R12),%EAX	1	0.17	0.17	0.17	0.17	0.17	0.17	0.25	0.25	0.25	0.25	0	0	0	0	0	0	1	0.25	scal (6.3%)
JGE 40b208 <putAtomInBox+0xe8>	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 %EDX,%EAX	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	N/A
SAL $0x6,%EAX	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
ADD %EAX,%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	N/A
INC %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 %EDI,(%RCX,%RDX,4)	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 0x8(%R14),%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
MOVSXD %ESI,%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
MOV %R15D,(%RAX,%RCX,4)	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 0x10(%R14),%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 %EBX,(%RAX,%RCX,4)	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 0x18(%R14),%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
SAL $0x3,%RCX	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
LEA (%RCX,%RCX,2),%RCX	1	0.17	0.17	0.17	0.17	0.17	0.17	0	0	0	0	0	0	0	0	0	0	1	0.25	N/A
VMOVSD -0x28(%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 %XMM0,(%RAX,%RCX,1)	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%)
VMOVUPS -0x50(%RBP),%XMM0	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	3	0.50	vect (25.0%)
VMOVSD %XMM0,0x8(%RAX,%RCX,1)	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%)
VMOVUPS -0x60(%RBP),%XMM0	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	3	0.50	vect (25.0%)
VMOVSD %XMM0,0x10(%RAX,%RCX,1)	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 0x20(%R14),%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
VMOVSD -0x30(%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 %XMM0,(%RAX,%RCX,1)	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%)
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%)
VMOVSD %XMM0,0x8(%RAX,%RCX,1)	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%)
VMOVSD -0x40(%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 %XMM0,0x10(%RAX,%RCX,1)	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%)
ADD $0x40,%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 %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

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

Source file and lines	linkCells.c:173-378
Module	exec

hoisting them (moving them outside the function)
turning them into conditional moves, MIN or MAX

Ex: if (x<0) x=0 => x = (x<0 ? 0 : x) (or MAX(0,x) after defining the corresponding macro)

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 11.25 to 8.50 cycles (1.32x speedup).

Workaround

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

Vectorization

Details

22% of SSE/AVX instructions are used in vector version (process two or more data elements in vector registers):

26% of SSE/AVX loads are used in vector version.
12% of SSE/AVX stores are used in vector version.
50% of SSE/AVX addition or subtraction instructions are used in vector version.
23% of SSE/AVX instructions that are not load, store, addition, subtraction nor multiply instructions are used in vector version.

Since your execution units are vector units, only a fully 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

getBoxFromTuple: 1 occurrences►
- /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:378

Complex instructions

Detected COMPLEX INSTRUCTIONS.

Details

These instructions generate more than one micro-operation and only one of them can be decoded during a cycle and the extra micro-operations increase pressure on execution units.

VPEXTRD: 1 occurrences►
- /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:371
VUCOMISD: 3 occurrences►
- /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:359
- /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:365
- /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:371

Conversion instructions

Detected expensive conversion instructions.

Details

VCVTTPD2DQ (FP64 to INT32, SIMD): 1 occurrences►
- /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:354

Workaround

Avoid mixing data with different types. In particular, check if the type of constants is the same as array elements.

Type of elements and instruction set

3 SSE or AVX instructions are processing arithmetic or math operations on double precision FP elements in scalar mode (one at a time). 3 SSE or AVX instructions are processing arithmetic or math operations on double precision FP elements in vector mode (two at a time).

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

The binary function is composed of 4 FP arithmetical operations:

2: addition or subtraction
2: multiply

The binary function is loading 188 bytes (23 double precision FP elements). The binary function is storing 128 bytes (16 double precision FP elements).

Arithmetic intensity

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

General properties

nb instructions	85
nb uops	90
loop length	321
used x86 registers	12
used mmx registers	0
used xmm registers	6
used ymm registers	0
used zmm registers	0
nb stack references	6
ADD-SUB / MUL ratio	1.00

Front-end

MACRO FUSION NOT POSSIBLE FIT IN UOP CACHE

micro-operation queue	11.25 cycles
front end	11.25 cycles

Back-end

	P0	P1	P2	P3	P4	P5	P6	P7	P8	P9	P10	P11	P12	P13	P14	P15
uops	4.00	4.00	4.00	4.00	4.00	4.00	9.50	9.50	9.50	9.50	2.00	2.00	3.00	3.00	9.00	9.00
cycles	4.00	4.00	4.00	4.00	4.00	4.00	9.50	9.50	9.50	9.50	2.00	2.00	3.00	3.00	9.00	9.00

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	11.25
Dispatch	9.50
Overall L1	11.25

Vectorization ratios

INT

all	7%
load	0%
store	0%
mul	NA (no mul vectorizable/vectorized instructions)
add-sub	0%
fma	NA (no fma vectorizable/vectorized instructions)
other	14%

all	30%
load	36%
store	16%
mul	100%
add-sub	100%
fma	NA (no fma vectorizable/vectorized instructions)
div/sqrt	NA (no div/sqrt vectorizable/vectorized instructions)
other	33%

INT+FP

all	22%
load	26%
store	12%
mul	100%
add-sub	50%
fma	NA (no fma vectorizable/vectorized instructions)
div/sqrt	NA (no div/sqrt vectorizable/vectorized instructions)
other	23%

Vector efficiency ratios

INT

all	8%
load	6%
store	6%
mul	NA (no mul vectorizable/vectorized instructions)
add-sub	6%
fma	NA (no fma vectorizable/vectorized instructions)
other	9%

all	16%
load	17%
store	14%
mul	25%
add-sub	25%
fma	NA (no fma vectorizable/vectorized instructions)
div/sqrt	NA (no div/sqrt vectorizable/vectorized instructions)
other	16%

INT+FP

all	13%
load	14%
store	12%
mul	25%
add-sub	15%
fma	NA (no fma vectorizable/vectorized instructions)
div/sqrt	NA (no div/sqrt vectorizable/vectorized instructions)
other	12%

Cycles and memory resources usage

Assuming all data fit into the L1 cache, each call to the function takes 11.25 cycles. At this rate:

6% of peak load performance is reached (16.71 out of 256.00 bytes loaded per cycle (GB/s @ 1GHz))
8% of peak store performance is reached (11.38 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: 40b120

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 %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 $0x40,%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
VMOVSD %XMM5,-0x40(%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%)
VMOVSD %XMM4,-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%)
VMOVSD %XMM3,-0x30(%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 %ECX,%EBX	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	scal (6.3%)
MOV %RDI,%R12	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	N/A
VUNPCKLPD %XMM2,%XMM1,%XMM3	1	0	0	0	0	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	1	0.25	scal (12.5%)
VSUBPD 0x20(%RDI),%XMM3,%XMM3	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	vect (25.0%)
VMULPD 0x68(%RDI),%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	vect (25.0%)
MOV %EDX,%R15D	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	scal (6.3%)
VROUNDPD $0x9,%XMM3,%XMM3	1	0	0	0	0	0	0	0	0	0	0	0	0	0.50	0.50	0	0	3	0.50	vect (25.0%)
VCVTTPD2DQ %XMM3,%XMM4	1	0	0	0	0	0	0	0	0	0	0	0	0	0.50	0.50	0	0	3	0.50	vect (25.0%)
MOV %RSI,%R14	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	N/A
VUCOMISD 0x30(%RDI),%XMM0	2	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0.50	0.50	0.50	0.50	6	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%)
VMOVSD %XMM0,-0x28(%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%)
JAE 40b191 <putAtomInBox+0x71>	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 0x4(%R12),%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 %RAX,%XMM3	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	2	1	scal (12.5%)
LEA -0x1(%RAX),%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	0.25	N/A
VPCMPEQD %XMM4,%XMM3,%K0	1	0	0	0	0	0	0	0	0	0	0	0	0.50	0.50	0	0	0	3	0.50	vect (25.0%)
KMOVD %K0,%EDI	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.50	0.50	4	1	N/A
VMOVD %XMM4,%EDX	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.50	0.50	5	0.50	scal (6.3%)
TEST $0x1,%DIL	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
CMOVNE %ECX,%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	N/A
VMOVUPD %XMM1,-0x50(%RBP)	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0.50	0.50	4	0.50	vect (25.0%)
VUCOMISD 0x38(%R12),%XMM1	2	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0.50	0.50	0.50	0.50	6	0.50	scal (12.5%)
CMOVAE %EAX,%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	N/A
SHR $0x20,%RAX	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
VPEXTRD $0x1,%XMM4,%ECX	2	0	0	0	0	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0.50	0.50	6	0.50	scal (6.3%)
LEA -0x1(%RAX),%R8D	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
TEST $0x2,%DIL	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
CMOVNE %R8D,%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	N/A
VMOVUPD %XMM2,-0x60(%RBP)	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0.50	0.50	4	0.50	vect (25.0%)
VUCOMISD 0x40(%R12),%XMM2	2	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0.50	0.50	0.50	0.50	6	0.50	scal (12.5%)
CMOVAE %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	N/A
MOV %R12,%RDI	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	N/A
CALL 40b000 <getBoxFromTuple>	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 0x78(%R12),%RCX	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 %EAX,%EDX	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	N/A
MOV (%RCX,%RDX,4),%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 %ESI,%EDI	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	N/A
CMP 0xc(%R12),%EAX	1	0.17	0.17	0.17	0.17	0.17	0.17	0.25	0.25	0.25	0.25	0	0	0	0	0	0	1	0.25	scal (6.3%)
JGE 40b208 <putAtomInBox+0xe8>	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
INCL (%R14)	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 (6.3%)
MOV (%RCX,%RDX,4),%EDI	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 %EDX,%EAX	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	N/A
SAL $0x6,%EAX	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
ADD %EAX,%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%)
INC %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 %EDI,(%RCX,%RDX,4)	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 0x8(%R14),%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
MOVSXD %ESI,%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
MOV %R15D,(%RAX,%RCX,4)	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 0x10(%R14),%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 %EBX,(%RAX,%RCX,4)	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 0x18(%R14),%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
SAL $0x3,%RCX	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
LEA (%RCX,%RCX,2),%RCX	1	0.17	0.17	0.17	0.17	0.17	0.17	0	0	0	0	0	0	0	0	0	0	1	0.25	N/A
VMOVSD -0x28(%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 %XMM0,(%RAX,%RCX,1)	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%)
VMOVUPS -0x50(%RBP),%XMM0	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	3	0.50	vect (25.0%)
VMOVSD %XMM0,0x8(%RAX,%RCX,1)	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%)
VMOVUPS -0x60(%RBP),%XMM0	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	3	0.50	vect (25.0%)
VMOVSD %XMM0,0x10(%RAX,%RCX,1)	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 0x20(%R14),%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
VMOVSD -0x30(%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 %XMM0,(%RAX,%RCX,1)	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%)
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%)
VMOVSD %XMM0,0x8(%RAX,%RCX,1)	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%)
VMOVSD -0x40(%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 %XMM0,0x10(%RAX,%RCX,1)	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%)
ADD $0x40,%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 %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

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

Source file and lines	linkCells.c:173-378
Module	exec

hoisting them (moving them outside the function)
turning them into conditional moves, MIN or MAX

Ex: if (x<0) x=0 => x = (x<0 ? 0 : x) (or MAX(0,x) after defining the corresponding macro)

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 11.00 to 8.50 cycles (1.29x speedup).

Workaround

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

Vectorization

Details

23% of SSE/AVX instructions are used in vector version (process two or more data elements in vector registers):

28% of SSE/AVX loads are used in vector version.
13% of SSE/AVX stores are used in vector version.
50% of SSE/AVX addition or subtraction instructions are used in vector version.
23% of SSE/AVX instructions that are not load, store, addition, subtraction nor multiply instructions are used in vector version.

Since your execution units are vector units, only a fully 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

getBoxFromTuple: 1 occurrences►
- /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:378

Complex instructions

Detected COMPLEX INSTRUCTIONS.

Details

These instructions generate more than one micro-operation and only one of them can be decoded during a cycle and the extra micro-operations increase pressure on execution units.

VPEXTRD: 1 occurrences►
- /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:371
VUCOMISD: 3 occurrences►
- /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:359
- /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:365
- /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:371

Conversion instructions

Detected expensive conversion instructions.

Details

VCVTTPD2DQ (FP64 to INT32, SIMD): 1 occurrences►
- /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:354

Workaround

Avoid mixing data with different types. In particular, check if the type of constants is the same as array elements.

Type of elements and instruction set

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

The binary function is composed of 4 FP arithmetical operations:

2: addition or subtraction
2: multiply

The binary function is loading 180 bytes (22 double precision FP elements). The binary function is storing 124 bytes (15 double precision FP elements).

Arithmetic intensity

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

General properties

nb instructions	83
nb uops	88
loop length	315
used x86 registers	12
used mmx registers	0
used xmm registers	6
used ymm registers	0
used zmm registers	0
nb stack references	6
ADD-SUB / MUL ratio	1.00

Front-end

MACRO FUSION NOT POSSIBLE FIT IN UOP CACHE

micro-operation queue	11.00 cycles
front end	11.00 cycles

Back-end

	P0	P1	P2	P3	P4	P5	P6	P7	P8	P9	P10	P11	P12	P13	P14	P15
uops	3.83	3.83	3.83	3.83	3.83	3.83	9.00	9.00	9.00	9.00	2.00	2.00	3.00	3.00	9.00	9.00
cycles	3.83	3.83	3.83	3.83	3.83	3.83	9.00	9.00	9.00	9.00	2.00	2.00	3.00	3.00	9.00	9.00

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	11.00
Dispatch	9.00
Overall L1	11.00

Vectorization ratios

INT

all	7%
load	0%
store	0%
mul	NA (no mul vectorizable/vectorized instructions)
add-sub	0%
fma	NA (no fma vectorizable/vectorized instructions)
other	14%

all	30%
load	36%
store	16%
mul	100%
add-sub	100%
fma	NA (no fma vectorizable/vectorized instructions)
div/sqrt	NA (no div/sqrt vectorizable/vectorized instructions)
other	33%

INT+FP

all	23%
load	28%
store	13%
mul	100%
add-sub	50%
fma	NA (no fma vectorizable/vectorized instructions)
div/sqrt	NA (no div/sqrt vectorizable/vectorized instructions)
other	23%

Vector efficiency ratios

INT

all	8%
load	6%
store	6%
mul	NA (no mul vectorizable/vectorized instructions)
add-sub	6%
fma	NA (no fma vectorizable/vectorized instructions)
other	9%

all	16%
load	17%
store	14%
mul	25%
add-sub	25%
fma	NA (no fma vectorizable/vectorized instructions)
div/sqrt	NA (no div/sqrt vectorizable/vectorized instructions)
other	16%

INT+FP

all	13%
load	14%
store	12%
mul	25%
add-sub	15%
fma	NA (no fma vectorizable/vectorized instructions)
div/sqrt	NA (no div/sqrt vectorizable/vectorized instructions)
other	12%

Cycles and memory resources usage

Assuming all data fit into the L1 cache, each call to the function takes 11.00 cycles. At this rate:

6% of peak load performance is reached (16.36 out of 256.00 bytes loaded per cycle (GB/s @ 1GHz))
8% of peak store performance is reached (11.27 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: 40b120

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 %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 $0x40,%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
VMOVSD %XMM5,-0x40(%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%)
VMOVSD %XMM4,-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%)
VMOVSD %XMM3,-0x30(%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 %ECX,%EBX	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	scal (6.3%)
MOV %RDI,%R12	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	N/A
VUNPCKLPD %XMM2,%XMM1,%XMM3	1	0	0	0	0	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	1	0.25	scal (12.5%)
VSUBPD 0x20(%RDI),%XMM3,%XMM3	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	vect (25.0%)
VMULPD 0x68(%RDI),%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	vect (25.0%)
MOV %EDX,%R15D	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	scal (6.3%)
VROUNDPD $0x9,%XMM3,%XMM3	1	0	0	0	0	0	0	0	0	0	0	0	0	0.50	0.50	0	0	3	0.50	vect (25.0%)
VCVTTPD2DQ %XMM3,%XMM4	1	0	0	0	0	0	0	0	0	0	0	0	0	0.50	0.50	0	0	3	0.50	vect (25.0%)
MOV %RSI,%R14	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	N/A
VUCOMISD 0x30(%RDI),%XMM0	2	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0.50	0.50	0.50	0.50	6	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%)
VMOVSD %XMM0,-0x28(%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%)
JAE 40b191 <putAtomInBox+0x71>	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 0x4(%R12),%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 %RAX,%XMM3	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	2	1	scal (12.5%)
LEA -0x1(%RAX),%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	0.25	N/A
VPCMPEQD %XMM4,%XMM3,%K0	1	0	0	0	0	0	0	0	0	0	0	0	0.50	0.50	0	0	0	3	0.50	vect (25.0%)
KMOVD %K0,%EDI	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.50	0.50	4	1	N/A
VMOVD %XMM4,%EDX	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.50	0.50	5	0.50	scal (6.3%)
TEST $0x1,%DIL	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
CMOVNE %ECX,%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	N/A
VMOVUPD %XMM1,-0x50(%RBP)	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0.50	0.50	4	0.50	vect (25.0%)
VUCOMISD 0x38(%R12),%XMM1	2	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0.50	0.50	0.50	0.50	6	0.50	scal (12.5%)
CMOVAE %EAX,%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	N/A
SHR $0x20,%RAX	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
VPEXTRD $0x1,%XMM4,%ECX	2	0	0	0	0	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0.50	0.50	6	0.50	scal (6.3%)
LEA -0x1(%RAX),%R8D	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
TEST $0x2,%DIL	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
CMOVNE %R8D,%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	N/A
VMOVUPD %XMM2,-0x60(%RBP)	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0.50	0.50	4	0.50	vect (25.0%)
VUCOMISD 0x40(%R12),%XMM2	2	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0.50	0.50	0.50	0.50	6	0.50	scal (12.5%)
CMOVAE %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	N/A
MOV %R12,%RDI	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	N/A
CALL 40b000 <getBoxFromTuple>	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 0x78(%R12),%RCX	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 %EAX,%EDX	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	N/A
MOV (%RCX,%RDX,4),%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 %ESI,%EDI	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	N/A
CMP 0xc(%R12),%EAX	1	0.17	0.17	0.17	0.17	0.17	0.17	0.25	0.25	0.25	0.25	0	0	0	0	0	0	1	0.25	scal (6.3%)
JGE 40b208 <putAtomInBox+0xe8>	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 %EDX,%EAX	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	N/A
SAL $0x6,%EAX	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
ADD %EAX,%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%)
INC %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 %EDI,(%RCX,%RDX,4)	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 0x8(%R14),%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
MOVSXD %ESI,%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
MOV %R15D,(%RAX,%RCX,4)	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 0x10(%R14),%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 %EBX,(%RAX,%RCX,4)	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 0x18(%R14),%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
SAL $0x3,%RCX	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
LEA (%RCX,%RCX,2),%RCX	1	0.17	0.17	0.17	0.17	0.17	0.17	0	0	0	0	0	0	0	0	0	0	1	0.25	N/A
VMOVSD -0x28(%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 %XMM0,(%RAX,%RCX,1)	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%)
VMOVUPS -0x50(%RBP),%XMM0	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	3	0.50	vect (25.0%)
VMOVSD %XMM0,0x8(%RAX,%RCX,1)	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%)
VMOVUPS -0x60(%RBP),%XMM0	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	3	0.50	vect (25.0%)
VMOVSD %XMM0,0x10(%RAX,%RCX,1)	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 0x20(%R14),%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
VMOVSD -0x30(%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 %XMM0,(%RAX,%RCX,1)	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%)
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%)
VMOVSD %XMM0,0x8(%RAX,%RCX,1)	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%)
VMOVSD -0x40(%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 %XMM0,0x10(%RAX,%RCX,1)	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%)
ADD $0x40,%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 %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

▶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	0	0.96	0	0.95	0	0.96	0	0.97	0	0.94	0

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	0.64500004053116	0.11176045238972
8x12	8	0.99	11.93	12	0.61999982595444	0.094278886914253
8x16	8	0.96	15.28	16	0.6399998664856	0.094055376946926
8x20	8	0.95	18.99	20	0.67499983310699	0.083972260355949
8x24	8	0.96	23.09	24	0.59999990463257	0.078134849667549
8x28	8	0.97	27.24	28	0.62000024318695	0.071200661361217
8x32	8	0.94	30.02	32	0.65999990701675	0.068375043570995

Name	Coverage (%)	Time (s)
○putAtomInBox	0.11	0.56

Report Configuration

Vectorization

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Workaround

FMA

Workaround

CALL instructions

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Complex instructions

Details

Conversion instructions

Details

Workaround

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

Code clean check

Workaround

Vectorization

Details

Workaround

Execution units bottlenecks

FMA

Workaround

CALL instructions

Details

Complex instructions

Details

Conversion instructions

Details

Workaround

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

Complex instructions

Details

Conversion instructions

Details

Workaround

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