OV - exec - Function putAtomInBox

	Function: putAtomInBox	Module: exec	Source: linkCells.c:173-378 [...]	Coverage (incl. loops): 0.14% \| (excl. loops): 0.14%

/beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/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);

0x40a7c0 PUSH	%RBP

0x40a7c1 MOV	%RSP,%RBP

0x40a7c4 PUSH	%R15

0x40a7c6 PUSH	%R14

0x40a7c8 PUSH	%R12

0x40a7ca PUSH	%RBX

0x40a7cb SUB	$0x40,%RSP

0x40a7cf VMOVSD	%XMM3,-0x30(%RBP)

0x40a7d4 VUNPCKLPD	%XMM2,%XMM1,%XMM3

0x40a7d8 VSUBPD	0x20(%RDI),%XMM3,%XMM3

0x40a7dd VMOVSD	%XMM4,-0x38(%RBP)

0x40a7e2 VMOVSD	0x30(%RDI),%XMM4

0x40a7e7 MOV	%RSI,%RBX

0x40a7ea MOV	(%RDI),%ESI

0x40a7ec VMOVSD	%XMM5,-0x40(%RBP)

0x40a7f1 MOV	%ECX,%R14D

0x40a7f4 MOV	%EDX,%R15D

0x40a7f7 MOV	%RDI,%R12

0x40a7fa VMOVSD	%XMM0,-0x28(%RBP)

0x40a7ff VMULPD	0x68(%RDI),%XMM3,%XMM3

0x40a804 VUCOMISD	%XMM0,%XMM4

0x40a808 VROUNDPD	$0x9,%XMM3,%XMM3

0x40a80e VCVTTPD2DQ	%XMM3,%XMM5

0x40a812 JBE	40a836

0x40a814 VSUBSD	0x18(%R12),%XMM0,%XMM3

0x40a81b LEA	-0x1(%RSI),%ECX

0x40a81e VMULSD	0x60(%R12),%XMM3,%XMM3

0x40a825 VROUNDSD	$0x9,%XMM3,%XMM3,%XMM3

0x40a82b VCVTTSD2SI	%XMM3,%EAX

0x40a82f CMP	%EAX,%ESI

0x40a831 CMOVNE	%EAX,%ECX

0x40a834 MOV	%ECX,%ESI

0x40a836 MOV	0x4(%R12),%RAX

0x40a83b VMOVSD	0x38(%R12),%XMM4

0x40a842 VMOVSD	0x40(%R12),%XMM0

0x40a849 VMOVD	%XMM5,%EDX

0x40a84d VMOVUPD	%XMM1,-0x50(%RBP)

0x40a852 VMOVUPD	%XMM2,-0x60(%RBP)

0x40a857 VMOVQ	%RAX,%XMM3

0x40a85c LEA	-0x1(%RAX),%ECX

0x40a85f VPCMPEQD	%XMM5,%XMM3,%K0

0x40a865 KMOVD	%K0,%EDI

0x40a869 TEST	$0x1,%DIL

0x40a86d CMOVNE	%ECX,%EDX

0x40a870 VUCOMISD	%XMM1,%XMM4

0x40a874 VPEXTRD	$0x1,%XMM5,%ECX

0x40a87a CMOVBE	%EAX,%EDX

0x40a87d SHR	$0x20,%RAX

0x40a881 TEST	$0x2,%DIL

0x40a885 MOV	%R12,%RDI

0x40a888 LEA	-0x1(%RAX),%R8D

0x40a88c CMOVNE	%R8D,%ECX

0x40a890 VUCOMISD	%XMM2,%XMM0

0x40a894 CMOVBE	%EAX,%ECX

0x40a897 CALL	40a6b0 <getBoxFromTuple>

0x40a89c MOV	0x78(%R12),%RCX

0x40a8a1 MOV	%EAX,%EDX

0x40a8a3 MOV	(%RCX,%RDX,4),%ESI

0x40a8a6 MOV	%ESI,%EDI

0x40a8a8 CMP	0xc(%R12),%EAX

0x40a8ad JGE	40a8b4

0x40a8af INCL	(%RBX)

0x40a8b1 MOV	(%RCX,%RDX,4),%EDI

0x40a8b4 INC	%EDI

0x40a8b6 MOV	%EDX,%EAX

0x40a8b8 SAL	$0x6,%EAX

0x40a8bb VMOVSD	-0x28(%RBP),%XMM0

0x40a8c0 VMOVSD	-0x30(%RBP),%XMM1

0x40a8c5 VMOVSD	-0x38(%RBP),%XMM2

0x40a8ca MOV	%EDI,(%RCX,%RDX,4)

0x40a8cd ADD	%EAX,%ESI

0x40a8cf MOV	0x8(%RBX),%RAX

0x40a8d3 MOVSXD	%ESI,%RCX

0x40a8d6 MOV	%R15D,(%RAX,%RCX,4)

0x40a8da MOV	0x10(%RBX),%RAX

0x40a8de MOV	%R14D,(%RAX,%RCX,4)

0x40a8e2 SAL	$0x3,%RCX

0x40a8e6 MOV	0x18(%RBX),%RAX

0x40a8ea LEA	(%RCX,%RCX,2),%RCX

0x40a8ee VMOVSD	%XMM0,(%RAX,%RCX,1)

0x40a8f3 VMOVUPS	-0x50(%RBP),%XMM0

0x40a8f8 VMOVSD	%XMM0,0x8(%RAX,%RCX,1)

0x40a8fe VMOVUPS	-0x60(%RBP),%XMM0

0x40a903 VMOVSD	%XMM0,0x10(%RAX,%RCX,1)

0x40a909 MOV	0x20(%RBX),%RAX

0x40a90d VMOVSD	%XMM1,(%RAX,%RCX,1)

0x40a912 VMOVSD	-0x40(%RBP),%XMM1

0x40a917 VMOVSD	%XMM2,0x8(%RAX,%RCX,1)

0x40a91d VMOVSD	%XMM1,0x10(%RAX,%RCX,1)

0x40a923 ADD	$0x40,%RSP

0x40a927 POP	%RBX

0x40a928 POP	%R12

0x40a92a POP	%R14

0x40a92c POP	%R15

0x40a92e POP	%RBP

0x40a92f RET

Coverage (%)	Name	Source Location	Module
►15.65+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:301	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►15.53+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:301	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►14.06+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►13.04+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►13.04+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►12.24+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►4.42+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
►2.49+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
►2.15+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
►2.15+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
►1.13+	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►1.02+	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6

Coverage (%)	Name	Source Location	Module
►14.24+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►14.01+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:301	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►13.79+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►12.77+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:301	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►12.66+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►11.98+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►3.50+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
►2.37+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
►2.26+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
►2.26+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
►1.24+	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
►1.02+	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
►1.02+	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
►1.02+	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

Coverage (%)	Name	Source Location	Module
►14.19+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►13.85+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►13.40+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:301	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►12.73+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:301	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►12.61+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►12.27+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►3.49+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
►3.49+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
►2.25+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
►1.58+	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
►1.46+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:301	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
►1.01+	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

Coverage (%)	Name	Source Location	Module
►14.32+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►13.44+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►13.33+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►12.11+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:301	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►11.89+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►11.67+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:301	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►3.52+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
►2.64+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
►1.98+	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
►1.87+	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
►1.76+	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
►1.65+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:301	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
►1.43+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:301	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
►1.43+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
►1.43+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
►1.32+	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
►1.10+	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

Coverage (%)	Name	Source Location	Module
►12.87+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►12.32+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:301	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►12.21+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►12.21+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:301	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►12.10+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►11.88+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►3.96+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
►2.64+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
►2.53+	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
►2.53+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
►2.42+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:301	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
►2.20+	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
►1.87+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
►1.76+	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
►1.43+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:301	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
►1.10+	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
►1.10+	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

Coverage (%)	Name	Source Location	Module
►12.38+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►11.68+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:301	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►11.28+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►10.48+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:301	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►10.38+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►10.08+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	memUtils.h:28	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
►2.79+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
►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
►2.69+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:301	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
►2.59+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:301	exec
○	timestep	timestep.c:150	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
►2.50+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
►2.30+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
►2.20+	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
►2.10+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
►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
►1.80+	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
►1.30+	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
►1.10+	unloadAtomsBuffer	haloExchange.c:414	exec
○	haloExchange	haloExchange.c:302	exec
○	timestep	timestep.c:150	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 0.14% of application time for run 8x1

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

The function is defined in /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/build/CoMD/CoMD/src-openmp/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 12.31 to 1.20 cycles (10.25x speedup).

Details

20% 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.

CMOVBE: 0 occurrences
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	91
nb uops	98.50
loop length	348.50
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	12.31 cycles
front end	12.31 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	9.50	9.50	9.50	9.50	2.25	2.25	3.75	3.75	9.25	9.25
cycles	4.50	4.50	4.50	4.50	4.50	4.50	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	12.31
Dispatch	9.50
Overall L1	12.31

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	25%
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	20%
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	15%
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 12.31 cycles. At this rate:

6% of peak load performance is reached (15.60 out of 256.00 bytes loaded per cycle (GB/s @ 1GHz))
8% of peak store performance is reached (10.25 out of 128.00 bytes stored per cycle (GB/s @ 1GHz))

The code analyzed by CQA in that panel excludes loops and represents 0.14% 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 13.00 to 9.00 cycles (1.44x speedup).

Workaround

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

Vectorization

Details

20% 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►
- /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/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.

CMOVBE: 2 occurrences►
- /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:365
- /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:371
VCVTTSD2SI: 1 occurrences►
- /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:352
VPEXTRD: 1 occurrences►
- /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:371
VUCOMISD: 3 occurrences►
- /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:359
- /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:365
- /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:371

Conversion instructions

Detected expensive conversion instructions.

Details

VCVTTPD2DQ (FP64 to INT32, SIMD): 1 occurrences►
- /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:354
VCVTTSD2SI (FP64 to INT32/64, scalar): 1 occurrences►
- /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/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	96
nb uops	104
loop length	368
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	13.00 cycles
front end	13.00 cycles

Back-end

	P0	P1	P2	P3	P4	P5	P6	P7	P8	P9	P10	P11	P12	P13	P14	P15
uops	4.83	4.83	4.83	4.83	4.83	4.83	10.00	10.00	10.00	10.00	2.50	2.50	4.50	4.50	9.50	9.50
cycles	4.83	4.83	4.83	4.83	4.83	4.83	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	13.00
Dispatch	10.00
Overall L1	13.00

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	24%
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	20%
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 13.00 cycles. At this rate:

6% of peak load performance is reached (15.69 out of 256.00 bytes loaded per cycle (GB/s @ 1GHz))
7% of peak store performance is reached (9.85 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 13.00 to 10.00 cycles (1.30x speedup).

ASM code

In the binary file, the address of the function is: 40a7c0

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 %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%)
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%)
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 0x30(%RDI),%XMM4	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	1	0.50	scal (12.5%)
MOV %RSI,%RBX	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	N/A
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 %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%)
MOV %ECX,%R14D	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	scal (6.3%)
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%)
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
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%)
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%)
VUCOMISD %XMM0,%XMM4	2	0	0	0	0	0	0	0	0	0	0	0	0	0.50	0.50	0.50	0.50	6	0.50	scal (12.5%)
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,%XMM5	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%)
JBE 40a836 <putAtomInBox+0x76>	1	0	0	0	0.33	0.33	0.33	0	0	0	0	0	0	0	0	0	0	0	0.33-1	N/A
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%)
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	0.17	N/A
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%)
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
VMOVSD 0x38(%R12),%XMM4	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 0x40(%R12),%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%)
VMOVD %XMM5,%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%)
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%)
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%)
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	0.17	N/A
VPCMPEQD %XMM5,%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
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
VUCOMISD %XMM1,%XMM4	2	0	0	0	0	0	0	0	0	0	0	0	0	0.50	0.50	0.50	0.50	6	0.50	scal (12.5%)
VPEXTRD $0x1,%XMM5,%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%)
CMOVBE %EAX,%EDX	2	0.33	0.33	0.33	0.33	0.33	0.33	0	0	0	0	0	0	0	0	0	0	1	0.33	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
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
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
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	0.17	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
VUCOMISD %XMM2,%XMM0	2	0	0	0	0	0	0	0	0	0	0	0	0	0.50	0.50	0.50	0.50	6	0.50	scal (12.5%)
CMOVBE %EAX,%ECX	2	0.33	0.33	0.33	0.33	0.33	0.33	0	0	0	0	0	0	0	0	0	0	1	0.33	N/A
CALL 40a6b0 <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 40a8b4 <putAtomInBox+0xf4>	1	0	0	0	0.33	0.33	0.33	0	0	0	0	0	0	0	0	0	0	0	0.33-1	N/A
INCL (%RBX)	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
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 %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
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 -0x30(%RBP),%XMM1	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 -0x38(%RBP),%XMM2	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	1	0.50	scal (12.5%)
MOV %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%)
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
MOV 0x8(%RBX),%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(%RBX),%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 %R14D,(%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%)
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
MOV 0x18(%RBX),%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
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	0.17	N/A
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(%RBX),%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 %XMM1,(%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),%XMM1	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 %XMM2,0x8(%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 %XMM1,0x10(%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	0.25	N/A
POP %R12	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.25	N/A
POP %R14	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.25	N/A
POP %R15	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.25	N/A
POP %RBP	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.25	N/A
RET	1	0	0	0	0.33	0.33	0.33	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A

The code analyzed by CQA in that panel excludes loops and represents 0.14% 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 12.75 to 9.00 cycles (1.42x speedup).

Workaround

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

Vectorization

Details

20% 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►
- /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/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.

CMOVBE: 2 occurrences►
- /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:365
- /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:371
VCVTTSD2SI: 1 occurrences►
- /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:352
VPEXTRD: 1 occurrences►
- /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:371
VUCOMISD: 3 occurrences►
- /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:359
- /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:365
- /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:371

Conversion instructions

Detected expensive conversion instructions.

Details

VCVTTPD2DQ (FP64 to INT32, SIMD): 1 occurrences►
- /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:354
VCVTTSD2SI (FP64 to INT32/64, scalar): 1 occurrences►
- /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/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	94
nb uops	102
loop length	363
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	12.75 cycles
front end	12.75 cycles

Back-end

	P0	P1	P2	P3	P4	P5	P6	P7	P8	P9	P10	P11	P12	P13	P14	P15
uops	4.67	4.67	4.67	4.67	4.67	4.67	9.50	9.50	9.50	9.50	2.50	2.50	4.50	4.50	9.50	9.50
cycles	4.67	4.67	4.67	4.67	4.67	4.67	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	12.75
Dispatch	9.50
Overall L1	12.75

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	24%
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	20%
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 12.75 cycles. At this rate:

6% of peak load performance is reached (15.37 out of 256.00 bytes loaded per cycle (GB/s @ 1GHz))
7% of peak store performance is reached (9.73 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: 40a7c0

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 %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%)
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%)
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 0x30(%RDI),%XMM4	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	1	0.50	scal (12.5%)
MOV %RSI,%RBX	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	N/A
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 %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%)
MOV %ECX,%R14D	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	scal (6.3%)
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%)
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
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%)
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%)
VUCOMISD %XMM0,%XMM4	2	0	0	0	0	0	0	0	0	0	0	0	0	0.50	0.50	0.50	0.50	6	0.50	scal (12.5%)
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,%XMM5	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%)
JBE 40a836 <putAtomInBox+0x76>	1	0	0	0	0.33	0.33	0.33	0	0	0	0	0	0	0	0	0	0	0	0.33-1	N/A
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%)
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	0.17	N/A
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%)
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
VMOVSD 0x38(%R12),%XMM4	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 0x40(%R12),%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%)
VMOVD %XMM5,%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%)
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%)
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%)
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	0.17	N/A
VPCMPEQD %XMM5,%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
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
VUCOMISD %XMM1,%XMM4	2	0	0	0	0	0	0	0	0	0	0	0	0	0.50	0.50	0.50	0.50	6	0.50	scal (12.5%)
VPEXTRD $0x1,%XMM5,%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%)
CMOVBE %EAX,%EDX	2	0.33	0.33	0.33	0.33	0.33	0.33	0	0	0	0	0	0	0	0	0	0	1	0.33	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
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
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
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	0.17	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
VUCOMISD %XMM2,%XMM0	2	0	0	0	0	0	0	0	0	0	0	0	0	0.50	0.50	0.50	0.50	6	0.50	scal (12.5%)
CMOVBE %EAX,%ECX	2	0.33	0.33	0.33	0.33	0.33	0.33	0	0	0	0	0	0	0	0	0	0	1	0.33	N/A
CALL 40a6b0 <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 40a8b4 <putAtomInBox+0xf4>	1	0	0	0	0.33	0.33	0.33	0	0	0	0	0	0	0	0	0	0	0	0.33-1	N/A
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 %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
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 -0x30(%RBP),%XMM1	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 -0x38(%RBP),%XMM2	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	1	0.50	scal (12.5%)
MOV %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%)
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
MOV 0x8(%RBX),%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(%RBX),%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 %R14D,(%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%)
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
MOV 0x18(%RBX),%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
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	0.17	N/A
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(%RBX),%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 %XMM1,(%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),%XMM1	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 %XMM2,0x8(%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 %XMM1,0x10(%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	0.25	N/A
POP %R12	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.25	N/A
POP %R14	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.25	N/A
POP %R15	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.25	N/A
POP %RBP	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.25	N/A
RET	1	0	0	0	0.33	0.33	0.33	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A

The code analyzed by CQA in that panel excludes loops and represents 0.14% 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 11.88 to 8.50 cycles (1.40x speedup).

Workaround

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

Vectorization

Details

20% 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►
- /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/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.

CMOVBE: 2 occurrences►
- /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:365
- /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:371
VPEXTRD: 1 occurrences►
- /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:371
VUCOMISD: 3 occurrences►
- /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:359
- /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:365
- /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:371

Conversion instructions

Detected expensive conversion instructions.

Details

VCVTTPD2DQ (FP64 to INT32, SIMD): 1 occurrences►
- /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/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	88
nb uops	95
loop length	334
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	11.88 cycles
front end	11.88 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	2.00	2.00	3.00	3.00	9.00	9.00
cycles	4.33	4.33	4.33	4.33	4.33	4.33	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	11.88
Dispatch	9.50
Overall L1	11.88

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	27%
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	20%
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	15%
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 11.88 cycles. At this rate:

6% of peak load performance is reached (15.83 out of 256.00 bytes loaded per cycle (GB/s @ 1GHz))
8% of peak store performance is reached (10.78 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: 40a7c0

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 %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%)
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%)
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 0x30(%RDI),%XMM4	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	1	0.50	scal (12.5%)
MOV %RSI,%RBX	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	N/A
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 %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%)
MOV %ECX,%R14D	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	scal (6.3%)
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%)
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
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%)
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%)
VUCOMISD %XMM0,%XMM4	2	0	0	0	0	0	0	0	0	0	0	0	0	0.50	0.50	0.50	0.50	6	0.50	scal (12.5%)
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,%XMM5	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%)
JBE 40a836 <putAtomInBox+0x76>	1	0	0	0	0.33	0.33	0.33	0	0	0	0	0	0	0	0	0	0	0	0.33-1	N/A
MOV 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
VMOVSD 0x38(%R12),%XMM4	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 0x40(%R12),%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%)
VMOVD %XMM5,%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%)
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%)
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%)
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	0.17	N/A
VPCMPEQD %XMM5,%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
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
VUCOMISD %XMM1,%XMM4	2	0	0	0	0	0	0	0	0	0	0	0	0	0.50	0.50	0.50	0.50	6	0.50	scal (12.5%)
VPEXTRD $0x1,%XMM5,%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%)
CMOVBE %EAX,%EDX	2	0.33	0.33	0.33	0.33	0.33	0.33	0	0	0	0	0	0	0	0	0	0	1	0.33	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
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
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
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	0.17	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
VUCOMISD %XMM2,%XMM0	2	0	0	0	0	0	0	0	0	0	0	0	0	0.50	0.50	0.50	0.50	6	0.50	scal (12.5%)
CMOVBE %EAX,%ECX	2	0.33	0.33	0.33	0.33	0.33	0.33	0	0	0	0	0	0	0	0	0	0	1	0.33	N/A
CALL 40a6b0 <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 40a8b4 <putAtomInBox+0xf4>	1	0	0	0	0.33	0.33	0.33	0	0	0	0	0	0	0	0	0	0	0	0.33-1	N/A
INCL (%RBX)	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
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 %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
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 -0x30(%RBP),%XMM1	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 -0x38(%RBP),%XMM2	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	1	0.50	scal (12.5%)
MOV %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%)
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%)
MOV 0x8(%RBX),%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(%RBX),%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 %R14D,(%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%)
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
MOV 0x18(%RBX),%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
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	0.17	N/A
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(%RBX),%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 %XMM1,(%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),%XMM1	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 %XMM2,0x8(%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 %XMM1,0x10(%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	0.25	N/A
POP %R12	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.25	N/A
POP %R14	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.25	N/A
POP %R15	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.25	N/A
POP %RBP	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.25	N/A
RET	1	0	0	0	0.33	0.33	0.33	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A

The code analyzed by CQA in that panel excludes loops and represents 0.14% 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 11.63 to 8.50 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):

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►
- /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/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.

CMOVBE: 2 occurrences►
- /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:365
- /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:371
VPEXTRD: 1 occurrences►
- /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:371
VUCOMISD: 3 occurrences►
- /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:359
- /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:365
- /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:371

Conversion instructions

Detected expensive conversion instructions.

Details

VCVTTPD2DQ (FP64 to INT32, SIMD): 1 occurrences►
- /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/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	86
nb uops	93
loop length	329
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	11.63 cycles
front end	11.63 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	9.00	9.00	9.00	9.00	2.00	2.00	3.00	3.00	9.00	9.00
cycles	4.17	4.17	4.17	4.17	4.17	4.17	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	11.63
Dispatch	9.00
Overall L1	11.63

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	27%
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	21%
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	15%
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 11.63 cycles. At this rate:

6% of peak load performance is reached (15.48 out of 256.00 bytes loaded per cycle (GB/s @ 1GHz))
8% of peak store performance is reached (10.67 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: 40a7c0

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 %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%)
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%)
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 0x30(%RDI),%XMM4	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	1	0.50	scal (12.5%)
MOV %RSI,%RBX	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	N/A
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 %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%)
MOV %ECX,%R14D	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	scal (6.3%)
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%)
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
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%)
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%)
VUCOMISD %XMM0,%XMM4	2	0	0	0	0	0	0	0	0	0	0	0	0	0.50	0.50	0.50	0.50	6	0.50	scal (12.5%)
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,%XMM5	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%)
JBE 40a836 <putAtomInBox+0x76>	1	0	0	0	0.33	0.33	0.33	0	0	0	0	0	0	0	0	0	0	0	0.33-1	N/A
MOV 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
VMOVSD 0x38(%R12),%XMM4	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 0x40(%R12),%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%)
VMOVD %XMM5,%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%)
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%)
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%)
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	0.17	N/A
VPCMPEQD %XMM5,%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
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
VUCOMISD %XMM1,%XMM4	2	0	0	0	0	0	0	0	0	0	0	0	0	0.50	0.50	0.50	0.50	6	0.50	scal (12.5%)
VPEXTRD $0x1,%XMM5,%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%)
CMOVBE %EAX,%EDX	2	0.33	0.33	0.33	0.33	0.33	0.33	0	0	0	0	0	0	0	0	0	0	1	0.33	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
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
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
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	0.17	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
VUCOMISD %XMM2,%XMM0	2	0	0	0	0	0	0	0	0	0	0	0	0	0.50	0.50	0.50	0.50	6	0.50	scal (12.5%)
CMOVBE %EAX,%ECX	2	0.33	0.33	0.33	0.33	0.33	0.33	0	0	0	0	0	0	0	0	0	0	1	0.33	N/A
CALL 40a6b0 <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 40a8b4 <putAtomInBox+0xf4>	1	0	0	0	0.33	0.33	0.33	0	0	0	0	0	0	0	0	0	0	0	0.33-1	N/A
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 %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
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 -0x30(%RBP),%XMM1	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 -0x38(%RBP),%XMM2	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	1	0.50	scal (12.5%)
MOV %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%)
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%)
MOV 0x8(%RBX),%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(%RBX),%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 %R14D,(%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%)
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
MOV 0x18(%RBX),%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
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	0.17	N/A
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(%RBX),%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 %XMM1,(%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),%XMM1	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 %XMM2,0x8(%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 %XMM1,0x10(%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	0.25	N/A
POP %R12	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.25	N/A
POP %R14	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.25	N/A
POP %R15	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.25	N/A
POP %RBP	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.25	N/A
RET	1	0	0	0	0.33	0.33	0.33	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A

▶Scalability Runs Description

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

(8x1) Efficiency	(8x1) Potential Speed-Up (%)	(8x8) Efficiency	(8x8) Potential Speed-Up (%)	(8x12) Efficiency	(8x12) Potential Speed-Up (%)	(8x16) Efficiency	(8x16) Potential Speed-Up (%)	(8x20) Efficiency	(8x20) Potential Speed-Up (%)	(8x24) Efficiency	(8x24) Potential Speed-Up (%)
1	0	1	0	0.99	0	0.97	0	0.97	0	0.88	0.01

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	0.63999998569489	0.13767828047276
8x8	8	1	4.98	5	0.61999994516373	0.19493341445923
8x12	8	0.99	8.92	9	0.61000001430511	0.14398749172688
8x16	8	0.97	12.6	13	0.61500000953674	0.12260426580906
8x20	8	0.97	16.45	17	0.65499997138977	0.10084807127714
8x24	8	0.88	18.42	21	0.68500000238419	0.098295539617538

Name	Coverage (%)	Time (s)
○putAtomInBox	0.14	0.55

Report Configuration

Vectorization

Details

Workaround

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

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