OV - exec - Function putAtomInBox

	Function: putAtomInBox	Module: exec	Source: linkCells.c:173-378 [...]	Coverage (incl. loops): 0.08% \| (excl. loops): 0.08%

/home/eoseret/qaas/qaas_runs/178-176-0594/intel/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c: 173 - 378

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

173: {

[...]

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])

366:    {

367:       if (iy == gridSize[1]) iy = gridSize[1] - 1;

368:    }

369:    else

370:       iy = gridSize[1];

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

372:    {

373:       if (iz == gridSize[2]) iz = gridSize[2] - 1;

374:    }

375:    else

376:       iz = gridSize[2];

377:

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

0x4172c0 STP	X29, X30, [SP, #928]!

0x4172c4 ADD	X29, SP, #0

0x4172c8 STP	D10, D11, [SP, #64]

0x4172cc FMOV	D10, D0

0x4172d0 FMOV	D11, D5

0x4172d4 LDR	D0, [X0, #48]

0x4172d8 STP	X19, X20, [SP, #16]

0x4172dc ORR	X20, XZR, X1

0x4172e0 ORR	X19, XZR, X0

0x4172e4 STP	X21, X22, [SP, #32]

0x4172e8 ORR	W22, WZR, W2

0x4172ec ORR	W21, WZR, W3

0x4172f0 FCMPE	D10, D0

0x4172f4 STP	D8, D9, [SP, #48]

0x4172f8 FMOV	D9, D1

0x4172fc FMOV	D8, D2

0x417300 STP	D12, D13, [SP, #80]

0x417304 FMOV	D13, D3

0x417308 FMOV	D12, D4

0x41730c LDR	W1, [X0]

0x417310 LDP	D2, D1, [X0, #24]

0x417314 LDR	D6, [X0, #40]

0x417318 LDP	D5, D4, [X0, #96]

0x41731c LDR	D3, [X0, #112]

0x417320 B.MI	41740c

0x417324 LDR	D17, [X19, #56]

0x417328 LDR	W2, [X19, #4]

0x41732c FCMPE	D9, D17

0x417330 B.MI	4173f0

0x417334 LDR	D20, [X19, #64]

0x417338 LDR	W3, [X19, #8]

0x41733c FCMPE	D8, D20

0x417340 B.MI	4173d4

0x417344 ORR	X0, XZR, X19

0x417348 BL	417150

0x41734c LDR	X9, [X19, #120]

0x417350 SBFM	X7, X0, #0, #31

0x417354 LDR	W8, [X19, #12]

0x417358 LDR	W12, [X9, X7,LSL #2]

0x41735c ADD	W10, W12, W0,LSL #6

0x417360 CMP	W8, W0

0x417364 B.LE	417378

0x417368 LDR	W1, [X20]

0x41736c ADD	W11, W1, #1

0x417370 STR	W11, [X20]

0x417374 LDR	W12, [X9, X7,LSL #2]

0x417378 MOVZ	W13, #24

0x41737c LDP	X18, X30, [X20, #16]

0x417380 ADD	W14, W12, #1

0x417384 SBFM	X15, X10, #0, #31

0x417388 SMULL	X16, W10, W13

0x41738c LDR	X17, [X20, #8]

0x417390 STR	W14, [X9, X7,LSL #2]

0x417394 ADD	X0, X30, X16

0x417398 LDR	X2, [X20, #32]

0x41739c LDP	X19, X20, [SP, #16]

0x4173a0 STR	W22, [X17, X15,LSL #2]

0x4173a4 STR	W21, [X18, X15,LSL #2]

0x4173a8 ADD	X3, X2, X16

0x4173ac STR	D10, [X30, X16]

0x4173b0 LDP	X21, X22, [SP, #32]

0x4173b4 STP	D9, D8, [X0, #8]

0x4173b8 STR	D13, [X2, X16]

0x4173bc LDP	D8, D9, [SP, #48]

0x4173c0 STP	D12, D11, [X3, #8]

0x4173c4 LDP	D10, D11, [SP, #64]

0x4173c8 LDP	D12, D13, [SP, #80]

0x4173cc LDP	X29, X30, [SP], #96

0x4173d0 RET

0x4173d4 FSUB	D21, D8, S6

0x4173d8 SUB	W5, W3, #1

0x4173dc FMUL	D22, D21, D3

0x4173e0 FCVTMS	W6, D22

0x4173e4 CMP	W3, W6

0x4173e8 CSEL	W3, W5, W6, #0

0x4173ec B	417344

0x4173f0 FSUB	D18, D9, S1

0x4173f4 SUB	W3, W2, #1

0x4173f8 FMUL	D19, D18, D4

0x4173fc FCVTMS	W4, D19

0x417400 CMP	W2, W4

0x417404 CSEL	W2, W3, W4, #0

0x417408 B	417334

0x41740c FSUB	D7, D10, S2

0x417410 SUB	W2, W1, #1

0x417414 FMUL	D16, D7, D5

0x417418 FCVTMS	W0, D16

0x41741c CMP	W0, W1

0x417420 CSEL	W1, W2, W0, #0

0x417424 B	417324

Coverage (%)	Name	Source Location	Module
►23.58+	unloadAtomsBuffer	haloExchange.c:424	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	CoMD.c:266	exec
►22.64+	unloadAtomsBuffer	haloExchange.c:421	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	CoMD.c:266	exec
►22.64+	unloadAtomsBuffer	haloExchange.c:421	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	CoMD.c:266	exec
►16.98+	unloadAtomsBuffer	haloExchange.c:424	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	CoMD.c:266	exec
►4.72+	createFccLattice	initAtoms.c:96	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start	CoMD.c:266	exec
►2.83+	createFccLattice	initAtoms.c:96	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start	CoMD.c:266	exec
►1.89+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start	CoMD.c:266	exec
►1.89+	createFccLattice	initAtoms.c:96	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start	CoMD.c:266	exec

Coverage (%)	Name	Source Location	Module
►30.09+	unloadAtomsBuffer	haloExchange.c:424	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	CoMD.c:266	exec
►25.66+	unloadAtomsBuffer	haloExchange.c:421	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	CoMD.c:266	exec
►15.93+	unloadAtomsBuffer	haloExchange.c:421	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	CoMD.c:266	exec
►15.04+	unloadAtomsBuffer	haloExchange.c:424	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	CoMD.c:266	exec
►6.19+	createFccLattice	initAtoms.c:96	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start	CoMD.c:266	exec
►2.65+	createFccLattice	initAtoms.c:96	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start	CoMD.c:266	exec
►1.77+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start	CoMD.c:266	exec

Coverage (%)	Name	Source Location	Module
►26.19+	unloadAtomsBuffer	haloExchange.c:424	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	CoMD.c:266	exec
►25.40+	unloadAtomsBuffer	haloExchange.c:421	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	CoMD.c:266	exec
►23.81+	unloadAtomsBuffer	haloExchange.c:421	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	CoMD.c:266	exec
►15.87+	unloadAtomsBuffer	haloExchange.c:424	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	CoMD.c:266	exec
►4.76+	createFccLattice	initAtoms.c:96	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start	CoMD.c:266	exec
►1.59+	createFccLattice	initAtoms.c:96	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start	CoMD.c:266	exec
►1.59+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start	CoMD.c:266	exec

Coverage (%)	Name	Source Location	Module
►24.07+	unloadAtomsBuffer	haloExchange.c:421	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	CoMD.c:266	exec
►23.15+	unloadAtomsBuffer	haloExchange.c:421	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	CoMD.c:266	exec
►21.30+	unloadAtomsBuffer	haloExchange.c:424	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	CoMD.c:266	exec
►18.52+	unloadAtomsBuffer	haloExchange.c:424	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	CoMD.c:266	exec
►7.41+	createFccLattice	initAtoms.c:96	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start	CoMD.c:266	exec
►1.85+	createFccLattice	initAtoms.c:96	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start	CoMD.c:266	exec
►1.85+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start	CoMD.c:266	exec

Coverage (%)	Name	Source Location	Module
►23.97+	unloadAtomsBuffer	haloExchange.c:424	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	CoMD.c:266	exec
►23.14+	unloadAtomsBuffer	haloExchange.c:421	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	CoMD.c:266	exec
►21.49+	unloadAtomsBuffer	haloExchange.c:424	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	CoMD.c:266	exec
►20.66+	unloadAtomsBuffer	haloExchange.c:421	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	CoMD.c:266	exec
►6.61+	createFccLattice	initAtoms.c:96	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start	CoMD.c:266	exec

Coverage (%)	Name	Source Location	Module
►26.61+	unloadAtomsBuffer	haloExchange.c:421	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	CoMD.c:266	exec
►24.77+	unloadAtomsBuffer	haloExchange.c:424	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	CoMD.c:266	exec
►22.94+	unloadAtomsBuffer	haloExchange.c:421	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	CoMD.c:266	exec
►13.76+	unloadAtomsBuffer	haloExchange.c:424	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	CoMD.c:266	exec
►3.67+	createFccLattice	initAtoms.c:96	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start	CoMD.c:266	exec
►3.67+	createFccLattice	initAtoms.c:96	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start	CoMD.c:266	exec

Coverage (%)	Name	Source Location	Module
►26.50+	unloadAtomsBuffer	haloExchange.c:421	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	CoMD.c:266	exec
►26.50+	unloadAtomsBuffer	haloExchange.c:421	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	CoMD.c:266	exec
►24.79+	unloadAtomsBuffer	haloExchange.c:424	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	CoMD.c:266	exec
►14.53+	unloadAtomsBuffer	haloExchange.c:424	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	CoMD.c:266	exec
►5.98+	createFccLattice	initAtoms.c:96	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start	CoMD.c:266	exec

Coverage (%)	Name	Source Location	Module
►26.55+	unloadAtomsBuffer	haloExchange.c:421	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	CoMD.c:266	exec
►23.01+	unloadAtomsBuffer	haloExchange.c:424	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	CoMD.c:266	exec
►23.01+	unloadAtomsBuffer	haloExchange.c:421	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	CoMD.c:266	exec
►14.16+	unloadAtomsBuffer	haloExchange.c:424	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	CoMD.c:266	exec
►2.65+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start	CoMD.c:266	exec
►2.65+	createFccLattice	initAtoms.c:96	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start	CoMD.c:266	exec
►2.65+	createFccLattice	initAtoms.c:96	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start	CoMD.c:266	exec
►2.65+	createFccLattice	initAtoms.c:96	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start	CoMD.c:266	exec

Coverage (%)	Name	Source Location	Module
►28.07+	unloadAtomsBuffer	haloExchange.c:421	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	CoMD.c:266	exec
►23.68+	unloadAtomsBuffer	haloExchange.c:424	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	CoMD.c:266	exec
►18.42+	unloadAtomsBuffer	haloExchange.c:424	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	CoMD.c:266	exec
►16.67+	unloadAtomsBuffer	haloExchange.c:421	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	CoMD.c:266	exec
►4.39+	createFccLattice	initAtoms.c:96	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start	CoMD.c:266	exec
►3.51+	createFccLattice	initAtoms.c:96	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start	CoMD.c:266	exec
►1.75+	createFccLattice	initAtoms.c:96	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start	CoMD.c:266	exec
►1.75+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start	CoMD.c:266	exec

Coverage (%)	Name	Source Location	Module
►30.84+	unloadAtomsBuffer	haloExchange.c:424	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	CoMD.c:266	exec
►20.56+	unloadAtomsBuffer	haloExchange.c:421	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	CoMD.c:266	exec
►18.69+	unloadAtomsBuffer	haloExchange.c:421	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	CoMD.c:266	exec
►17.76+	unloadAtomsBuffer	haloExchange.c:424	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	CoMD.c:266	exec
►4.67+	createFccLattice	initAtoms.c:96	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start	CoMD.c:266	exec
►2.80+	createFccLattice	initAtoms.c:96	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start	CoMD.c:266	exec
►2.80+	createFccLattice	initAtoms.c:100	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start	CoMD.c:266	exec

Coverage (%)	Name	Source Location	Module
►29.57+	unloadAtomsBuffer	haloExchange.c:424	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	CoMD.c:266	exec
►23.48+	unloadAtomsBuffer	haloExchange.c:424	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	CoMD.c:266	exec
►18.26+	unloadAtomsBuffer	haloExchange.c:421	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	CoMD.c:266	exec
►15.65+	unloadAtomsBuffer	haloExchange.c:421	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	CoMD.c:266	exec
►4.35+	createFccLattice	initAtoms.c:96	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start	CoMD.c:266	exec
►3.48+	createFccLattice	initAtoms.c:96	exec
○	main	CoMD.c:199	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start	CoMD.c:266	exec
►1.74+	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	CoMD.c:266	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 0.08% of application time for run 1x1

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

The function is defined in /home/eoseret/qaas/qaas_runs/178-176-0594/intel/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:173,179-195,352-378.

Warnings:

Ignoring paths for analysis
Too many paths. Rerun with max-paths=16

Try to simplify control and/or increase the maximum number of paths per function/loop through the 'max-paths-nb' option.

This function has 16 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

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 12.67 to 6.50 cycles (1.95x speedup).

Workaround

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

Vectorization

Your function is not vectorized. Only 27% of vector register length is used (average across all VPU instructions). By fully vectorizing your function, you can lower the cost of an iteration from 12.67 to 3.62 cycles (3.49x speedup).

Details

17% of VPU instructions are used in vector version (process two or more data elements in vector registers):

35% of VPU loads are used in vector version.
35% of VPU stores are used in vector version.
0% of VPU addition or subtraction instructions are used in vector version.
0% of VPU multiply instructions are used in vector version.
0% of VPU 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

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: 1 occurrences►
- /home/eoseret/qaas/qaas_runs/178-176-0594/intel/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:378

Conversion instructions

Detected expensive conversion instructions.

Details

FCVTMS: 3 occurrences►
- /home/eoseret/qaas/qaas_runs/178-176-0594/intel/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:354
- /home/eoseret/qaas/qaas_runs/178-176-0594/intel/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:353
- /home/eoseret/qaas/qaas_runs/178-176-0594/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.

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 21 bytes. The binary function is storing 12 bytes.

Arithmetic intensity

Arithmetic intensity is 0.18 FP operations per loaded or stored byte.

General properties

nb instructions	90
nb uops	90
loop length	360
used w registers	16
used x registers	18
used b registers	0
used h registers	0
used s registers	4
used d registers	21
used q registers	0
used v registers	0
used z registers	0
nb stack references	12
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
uops	4.50	4.50	6.75	6.75	6.75	6.75	6.50	6.50	6.00	6.00	12.67	12.67	12.67	3.50	3.50
cycles	4.50	4.50	6.75	6.75	6.75	6.75	6.50	6.50	6.00	6.00	12.67	12.67	12.67	3.50	3.50

Execution ports to units layout:

P0: BRU
P1: BRU
P2: ALU
P3: ALU
P4: ALU
P5: ALU
P6 (128 bits): VPU, FP store data, ALU, DIV/SQRT
P7 (128 bits): VPU, ALU, FP store data
P8 (128 bits): VPU, ALU, DIV/SQRT
P9 (128 bits): ALU, VPU
P10 (256 bits): store address, load
P11 (256 bits): store address, load
P12 (256 bits): load
P13 (64 bits): store data
P14 (64 bits): store data

Cycles executing div or sqrt instructions

Cycles summary

Front-end	11.25
Dispatch	12.67
Overall L1	12.67

Vectorization ratios

INT

all	25%
load	35%
store	35%
mul	NA (no mul vectorizable/vectorized instructions)
add-sub	0%
fma	NA (no fma vectorizable/vectorized instructions)
other	0%

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

INT+FP

all	17%
load	35%
store	35%
mul	0%
add-sub	0%
fma	NA (no fma vectorizable/vectorized instructions)
div/sqrt	NA (no div/sqrt vectorizable/vectorized instructions)
other	0%

Vector efficiency ratios

INT

all	28%
load	33%
store	35%
mul	NA (no mul vectorizable/vectorized instructions)
add-sub	15%
fma	NA (no fma vectorizable/vectorized instructions)
other	12%

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

INT+FP

all	27%
load	33%
store	35%
mul	25%
add-sub	18%
fma	NA (no fma vectorizable/vectorized instructions)
div/sqrt	NA (no div/sqrt vectorizable/vectorized instructions)
other	20%

Cycles and memory resources usage

Assuming all data fit into the L1 cache, each call to the function takes 12.67 cycles. At this rate:

1% of peak load performance is reached (1.66 out of 96.00 bytes loaded per cycle (GB/s @ 1GHz))
1% of peak store performance is reached (0.95 out of 48.00 bytes stored per cycle (GB/s @ 1GHz))

Front-end bottlenecks

Found no such bottlenecks.

ASM code

In the binary file, the address of the function is: 4172c0

Instruction	Nb FU	P0	P1	P2	P3	P4	P5	P6	P7	P8	P9	P10	P11	P12	P13	P14	Latency	Recip. throughput	Vectorization
STP X29, X30, [SP, #928]!	1	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0.50	0.50	0	0.50	0.50	1	0.50	scal (50.0%)
ADD X29, SP, #0	1	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.25	scal (25.0%)
STP D10, D11, [SP, #64]	1	0	0	0	0	0	0	0.50	0.50	0	0	0.50	0.50	0	0	0	2	0.50	vect (50.0%)
FMOV D10, D0	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	2	0.25	scal (25.0%)
FMOV D11, D5	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	2	0.25	scal (25.0%)
LDR D0, [X0, #48]	1	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	6	0.33	scal (25.0%)
STP X19, X20, [SP, #16]	1	0	0	0	0	0	0	0	0	0	0	0.50	0.50	0	0.50	0.50	1	0.50	scal (50.0%)
ORR X20, XZR, X1	1	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.25	N/A
ORR X19, XZR, X0	1	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.25	N/A
STP X21, X22, [SP, #32]	1	0	0	0	0	0	0	0	0	0	0	0.50	0.50	0	0.50	0.50	1	0.50	scal (50.0%)
ORR W22, WZR, W2	1	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.25	scal (12.5%)
ORR W21, WZR, W3	1	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.25	scal (12.5%)
FCMPE D10, D0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	2	1	scal (25.0%)
STP D8, D9, [SP, #48]	1	0	0	0	0	0	0	0.50	0.50	0	0	0.50	0.50	0	0	0	2	0.50	vect (50.0%)
FMOV D9, D1	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	2	0.25	scal (25.0%)
FMOV D8, D2	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	2	0.25	scal (25.0%)
STP D12, D13, [SP, #80]	1	0	0	0	0	0	0	0.50	0.50	0	0	0.50	0.50	0	0	0	2	0.50	vect (50.0%)
FMOV D13, D3	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	2	0.25	scal (25.0%)
FMOV D12, D4	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	2	0.25	scal (25.0%)
LDR W1, [X0]	1	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	4	0.33	N/A
LDP D2, D1, [X0, #24]	1	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	6	0.33	vect (50.0%)
LDR D6, [X0, #40]	1	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	6	0.33	scal (25.0%)
LDP D5, D4, [X0, #96]	1	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	6	0.33	vect (50.0%)
LDR D3, [X0, #112]	1	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	6	0.33	scal (25.0%)
B.MI 41740c <putAtomInBox+0x14c>	1	0.50	0.50	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
LDR D17, [X19, #56]	1	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	6	0.33	scal (25.0%)
LDR W2, [X19, #4]	1	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	4	0.33	N/A
FCMPE D9, D17	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	2	1	scal (25.0%)
B.MI 4173f0 <putAtomInBox+0x130>	1	0.50	0.50	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
LDR D20, [X19, #64]	1	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	6	0.33	scal (25.0%)
LDR W3, [X19, #8]	1	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	4	0.33	N/A
FCMPE D8, D20	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	2	1	scal (25.0%)
B.MI 4173d4 <putAtomInBox+0x114>	1	0.50	0.50	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
ORR X0, XZR, X19	1	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.25	N/A
BL 417150 <getBoxFromTuple>	1	0.50	0.50	0.50	0.50	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
LDR X9, [X19, #120]	1	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	4	0.33	N/A
SBFM X7, X0, #0, #31	1	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.25	N/A
LDR W8, [X19, #12]	1	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	4	0.33	scal (12.5%)
LDR W12, [X9, X7,LSL #2]	1	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	4	0.33	scal (12.5%)
ADD W10, W12, W0,LSL #6	1	0	0	0	0	0.50	0.50	0	0	0	0	0	0	0	0	0	2	0.50	scal (12.5%)
CMP W8, W0	1	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.33	scal (12.5%)
B.LE 417378 <putAtomInBox+0xb8>	1	0.50	0.50	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
LDR W1, [X20]	1	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	4	0.33	N/A
ADD W11, W1, #1	1	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.25	scal (12.5%)
STR W11, [X20]	1	0	0	0	0	0	0	0	0	0	0	0.50	0.50	0	0.50	0.50	1	0.50	scal (12.5%)
LDR W12, [X9, X7,LSL #2]	1	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	4	0.33	scal (12.5%)
MOVZ W13, #24	1	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.25	scal (12.5%)
LDP X18, X30, [X20, #16]	1	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	4	1	N/A
ADD W14, W12, #1	1	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.25	scal (12.5%)
SBFM X15, X10, #0, #31	1	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.25	N/A
SMULL X16, W10, W13	1	0	0	0	0	0.50	0.50	0	0	0	0	0	0	0	0	0	2	0.50	N/A
LDR X17, [X20, #8]	1	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	4	0.33	N/A
STR W14, [X9, X7,LSL #2]	1	0	0	0	0	0	0	0	0	0	0	0.50	0.50	0	0.50	0.50	1	0.50	scal (12.5%)
ADD X0, X30, X16	1	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.25	N/A
LDR X2, [X20, #32]	1	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	4	0.33	N/A
LDP X19, X20, [SP, #16]	1	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	4	1	N/A
STR W22, [X17, X15,LSL #2]	1	0	0	0	0	0	0	0	0	0	0	0.50	0.50	0	0.50	0.50	1	0.50	scal (12.5%)
STR W21, [X18, X15,LSL #2]	1	0	0	0	0	0	0	0	0	0	0	0.50	0.50	0	0.50	0.50	1	0.50	scal (12.5%)
ADD X3, X2, X16	1	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.25	N/A
STR D10, [X30, X16]	1	0	0	0	0	0	0	0.50	0.50	0	0	0.50	0.50	0	0	0	2	0.50	scal (25.0%)
LDP X21, X22, [SP, #32]	1	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	4	1	scal (50.0%)
STP D9, D8, [X0, #8]	1	0	0	0	0	0	0	0.50	0.50	0	0	0.50	0.50	0	0	0	2	0.50	vect (50.0%)
STR D13, [X2, X16]	1	0	0	0	0	0	0	0.50	0.50	0	0	0.50	0.50	0	0	0	2	0.50	scal (25.0%)
LDP D8, D9, [SP, #48]	1	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	6	0.33	vect (50.0%)
STP D12, D11, [X3, #8]	1	0	0	0	0	0	0	0.50	0.50	0	0	0.50	0.50	0	0	0	2	0.50	vect (50.0%)
LDP D10, D11, [SP, #64]	1	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	6	0.33	vect (50.0%)
LDP D12, D13, [SP, #80]	1	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	6	0.33	vect (50.0%)
LDP X29, X30, [SP], #96	1	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	4	1	N/A
RET	1	0.50	0.50	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
FSUB D21, D8, S6	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	2	0.25	scal (25.0%)
SUB W5, W3, #1	1	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.25	scal (12.5%)
FMUL D22, D21, D3	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	3	0.25	scal (25.0%)
FCVTMS W6, D22	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	3	1	scal (25.0%)
CMP W3, W6	1	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.33	scal (12.5%)
CSEL W3, W5, W6, #0	1	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.25	N/A
B 417344 <putAtomInBox+0x84>	1	0.50	0.50	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
FSUB D18, D9, S1	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	2	0.25	scal (25.0%)
SUB W3, W2, #1	1	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.25	N/A
FMUL D19, D18, D4	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	3	0.25	scal (25.0%)
FCVTMS W4, D19	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	3	1	scal (25.0%)
CMP W2, W4	1	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.33	scal (12.5%)
CSEL W2, W3, W4, #0	1	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.25	N/A
B 417334 <putAtomInBox+0x74>	1	0.50	0.50	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
FSUB D7, D10, S2	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	2	0.25	scal (25.0%)
SUB W2, W1, #1	1	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.25	N/A
FMUL D16, D7, D5	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	3	0.25	scal (25.0%)
FCVTMS W0, D16	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	3	1	scal (25.0%)
CMP W0, W1	1	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.33	N/A
CSEL W1, W2, W0, #0	1	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.25	N/A
B 417324 <putAtomInBox+0x64>	1	0.50	0.50	0	0	0	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 0.08% of application time for run 1x1

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

The function is defined in /home/eoseret/qaas/qaas_runs/178-176-0594/intel/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:173,179-195,352-378.

Warnings:

Ignoring paths for analysis
Too many paths. Rerun with max-paths=16

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 12.67 to 6.50 cycles (1.95x speedup).

Workaround

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

Vectorization

Details

17% of VPU instructions are used in vector version (process two or more data elements in vector registers):

35% of VPU loads are used in vector version.
35% of VPU stores are used in vector version.
0% of VPU addition or subtraction instructions are used in vector version.
0% of VPU multiply instructions are used in vector version.
0% of VPU 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

CALL instructions

Detected function call instructions.

Details

getBoxFromTuple: 1 occurrences►
- /home/eoseret/qaas/qaas_runs/178-176-0594/intel/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:378

Conversion instructions

Detected expensive conversion instructions.

Details

FCVTMS: 3 occurrences►
- /home/eoseret/qaas/qaas_runs/178-176-0594/intel/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:354
- /home/eoseret/qaas/qaas_runs/178-176-0594/intel/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:353
- /home/eoseret/qaas/qaas_runs/178-176-0594/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.

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 21 bytes. The binary function is storing 12 bytes.

Arithmetic intensity

Arithmetic intensity is 0.18 FP operations per loaded or stored byte.

General properties

nb instructions	90
nb uops	90
loop length	360
used w registers	16
used x registers	18
used b registers	0
used h registers	0
used s registers	4
used d registers	21
used q registers	0
used v registers	0
used z registers	0
nb stack references	12
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
uops	4.50	4.50	6.75	6.75	6.75	6.75	6.50	6.50	6.00	6.00	12.67	12.67	12.67	3.50	3.50
cycles	4.50	4.50	6.75	6.75	6.75	6.75	6.50	6.50	6.00	6.00	12.67	12.67	12.67	3.50	3.50

Execution ports to units layout:

P0: BRU
P1: BRU
P2: ALU
P3: ALU
P4: ALU
P5: ALU
P6 (128 bits): VPU, FP store data, ALU, DIV/SQRT
P7 (128 bits): VPU, ALU, FP store data
P8 (128 bits): VPU, ALU, DIV/SQRT
P9 (128 bits): ALU, VPU
P10 (256 bits): store address, load
P11 (256 bits): store address, load
P12 (256 bits): load
P13 (64 bits): store data
P14 (64 bits): store data

Cycles executing div or sqrt instructions

Cycles summary

Front-end	11.25
Dispatch	12.67
Overall L1	12.67

Vectorization ratios

INT

all	25%
load	35%
store	35%
mul	NA (no mul vectorizable/vectorized instructions)
add-sub	0%
fma	NA (no fma vectorizable/vectorized instructions)
other	0%

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

INT+FP

all	17%
load	35%
store	35%
mul	0%
add-sub	0%
fma	NA (no fma vectorizable/vectorized instructions)
div/sqrt	NA (no div/sqrt vectorizable/vectorized instructions)
other	0%

Vector efficiency ratios

INT

all	28%
load	33%
store	35%
mul	NA (no mul vectorizable/vectorized instructions)
add-sub	15%
fma	NA (no fma vectorizable/vectorized instructions)
other	12%

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

INT+FP

all	27%
load	33%
store	35%
mul	25%
add-sub	18%
fma	NA (no fma vectorizable/vectorized instructions)
div/sqrt	NA (no div/sqrt vectorizable/vectorized instructions)
other	20%

Cycles and memory resources usage

Assuming all data fit into the L1 cache, each call to the function takes 12.67 cycles. At this rate:

1% of peak load performance is reached (1.66 out of 96.00 bytes loaded per cycle (GB/s @ 1GHz))
1% of peak store performance is reached (0.95 out of 48.00 bytes stored per cycle (GB/s @ 1GHz))

Front-end bottlenecks

Found no such bottlenecks.

ASM code

In the binary file, the address of the function is: 4172c0

Instruction	Nb FU	P0	P1	P2	P3	P4	P5	P6	P7	P8	P9	P10	P11	P12	P13	P14	Latency	Recip. throughput	Vectorization
STP X29, X30, [SP, #928]!	1	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0.50	0.50	0	0.50	0.50	1	0.50	scal (50.0%)
ADD X29, SP, #0	1	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.25	scal (25.0%)
STP D10, D11, [SP, #64]	1	0	0	0	0	0	0	0.50	0.50	0	0	0.50	0.50	0	0	0	2	0.50	vect (50.0%)
FMOV D10, D0	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	2	0.25	scal (25.0%)
FMOV D11, D5	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	2	0.25	scal (25.0%)
LDR D0, [X0, #48]	1	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	6	0.33	scal (25.0%)
STP X19, X20, [SP, #16]	1	0	0	0	0	0	0	0	0	0	0	0.50	0.50	0	0.50	0.50	1	0.50	scal (50.0%)
ORR X20, XZR, X1	1	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.25	N/A
ORR X19, XZR, X0	1	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.25	N/A
STP X21, X22, [SP, #32]	1	0	0	0	0	0	0	0	0	0	0	0.50	0.50	0	0.50	0.50	1	0.50	scal (50.0%)
ORR W22, WZR, W2	1	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.25	scal (12.5%)
ORR W21, WZR, W3	1	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.25	scal (12.5%)
FCMPE D10, D0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	2	1	scal (25.0%)
STP D8, D9, [SP, #48]	1	0	0	0	0	0	0	0.50	0.50	0	0	0.50	0.50	0	0	0	2	0.50	vect (50.0%)
FMOV D9, D1	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	2	0.25	scal (25.0%)
FMOV D8, D2	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	2	0.25	scal (25.0%)
STP D12, D13, [SP, #80]	1	0	0	0	0	0	0	0.50	0.50	0	0	0.50	0.50	0	0	0	2	0.50	vect (50.0%)
FMOV D13, D3	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	2	0.25	scal (25.0%)
FMOV D12, D4	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	2	0.25	scal (25.0%)
LDR W1, [X0]	1	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	4	0.33	N/A
LDP D2, D1, [X0, #24]	1	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	6	0.33	vect (50.0%)
LDR D6, [X0, #40]	1	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	6	0.33	scal (25.0%)
LDP D5, D4, [X0, #96]	1	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	6	0.33	vect (50.0%)
LDR D3, [X0, #112]	1	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	6	0.33	scal (25.0%)
B.MI 41740c <putAtomInBox+0x14c>	1	0.50	0.50	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
LDR D17, [X19, #56]	1	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	6	0.33	scal (25.0%)
LDR W2, [X19, #4]	1	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	4	0.33	N/A
FCMPE D9, D17	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	2	1	scal (25.0%)
B.MI 4173f0 <putAtomInBox+0x130>	1	0.50	0.50	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
LDR D20, [X19, #64]	1	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	6	0.33	scal (25.0%)
LDR W3, [X19, #8]	1	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	4	0.33	N/A
FCMPE D8, D20	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	2	1	scal (25.0%)
B.MI 4173d4 <putAtomInBox+0x114>	1	0.50	0.50	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
ORR X0, XZR, X19	1	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.25	N/A
BL 417150 <getBoxFromTuple>	1	0.50	0.50	0.50	0.50	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
LDR X9, [X19, #120]	1	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	4	0.33	N/A
SBFM X7, X0, #0, #31	1	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.25	N/A
LDR W8, [X19, #12]	1	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	4	0.33	scal (12.5%)
LDR W12, [X9, X7,LSL #2]	1	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	4	0.33	scal (12.5%)
ADD W10, W12, W0,LSL #6	1	0	0	0	0	0.50	0.50	0	0	0	0	0	0	0	0	0	2	0.50	scal (12.5%)
CMP W8, W0	1	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.33	scal (12.5%)
B.LE 417378 <putAtomInBox+0xb8>	1	0.50	0.50	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
LDR W1, [X20]	1	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	4	0.33	N/A
ADD W11, W1, #1	1	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.25	scal (12.5%)
STR W11, [X20]	1	0	0	0	0	0	0	0	0	0	0	0.50	0.50	0	0.50	0.50	1	0.50	scal (12.5%)
LDR W12, [X9, X7,LSL #2]	1	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	4	0.33	scal (12.5%)
MOVZ W13, #24	1	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.25	scal (12.5%)
LDP X18, X30, [X20, #16]	1	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	4	1	N/A
ADD W14, W12, #1	1	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.25	scal (12.5%)
SBFM X15, X10, #0, #31	1	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.25	N/A
SMULL X16, W10, W13	1	0	0	0	0	0.50	0.50	0	0	0	0	0	0	0	0	0	2	0.50	N/A
LDR X17, [X20, #8]	1	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	4	0.33	N/A
STR W14, [X9, X7,LSL #2]	1	0	0	0	0	0	0	0	0	0	0	0.50	0.50	0	0.50	0.50	1	0.50	scal (12.5%)
ADD X0, X30, X16	1	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.25	N/A
LDR X2, [X20, #32]	1	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	4	0.33	N/A
LDP X19, X20, [SP, #16]	1	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	4	1	N/A
STR W22, [X17, X15,LSL #2]	1	0	0	0	0	0	0	0	0	0	0	0.50	0.50	0	0.50	0.50	1	0.50	scal (12.5%)
STR W21, [X18, X15,LSL #2]	1	0	0	0	0	0	0	0	0	0	0	0.50	0.50	0	0.50	0.50	1	0.50	scal (12.5%)
ADD X3, X2, X16	1	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.25	N/A
STR D10, [X30, X16]	1	0	0	0	0	0	0	0.50	0.50	0	0	0.50	0.50	0	0	0	2	0.50	scal (25.0%)
LDP X21, X22, [SP, #32]	1	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	4	1	scal (50.0%)
STP D9, D8, [X0, #8]	1	0	0	0	0	0	0	0.50	0.50	0	0	0.50	0.50	0	0	0	2	0.50	vect (50.0%)
STR D13, [X2, X16]	1	0	0	0	0	0	0	0.50	0.50	0	0	0.50	0.50	0	0	0	2	0.50	scal (25.0%)
LDP D8, D9, [SP, #48]	1	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	6	0.33	vect (50.0%)
STP D12, D11, [X3, #8]	1	0	0	0	0	0	0	0.50	0.50	0	0	0.50	0.50	0	0	0	2	0.50	vect (50.0%)
LDP D10, D11, [SP, #64]	1	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	6	0.33	vect (50.0%)
LDP D12, D13, [SP, #80]	1	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	6	0.33	vect (50.0%)
LDP X29, X30, [SP], #96	1	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	4	1	N/A
RET	1	0.50	0.50	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
FSUB D21, D8, S6	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	2	0.25	scal (25.0%)
SUB W5, W3, #1	1	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.25	scal (12.5%)
FMUL D22, D21, D3	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	3	0.25	scal (25.0%)
FCVTMS W6, D22	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	3	1	scal (25.0%)
CMP W3, W6	1	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.33	scal (12.5%)
CSEL W3, W5, W6, #0	1	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.25	N/A
B 417344 <putAtomInBox+0x84>	1	0.50	0.50	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
FSUB D18, D9, S1	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	2	0.25	scal (25.0%)
SUB W3, W2, #1	1	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.25	N/A
FMUL D19, D18, D4	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	3	0.25	scal (25.0%)
FCVTMS W4, D19	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	3	1	scal (25.0%)
CMP W2, W4	1	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.33	scal (12.5%)
CSEL W2, W3, W4, #0	1	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.25	N/A
B 417334 <putAtomInBox+0x74>	1	0.50	0.50	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
FSUB D7, D10, S2	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	2	0.25	scal (25.0%)
SUB W2, W1, #1	1	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.25	N/A
FMUL D16, D7, D5	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	3	0.25	scal (25.0%)
FCVTMS W0, D16	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	3	1	scal (25.0%)
CMP W0, W1	1	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.33	N/A
CSEL W1, W2, W0, #0	1	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.25	N/A
B 417324 <putAtomInBox+0x64>	1	0.50	0.50	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A

▶Scalability Runs Description

Run 1x1	Number processes: 1Number nodes: NARun Command: <executable> -x 100 -y 100 -z 100MPI Command: mpirun -n <number_processes> --bind-to core --map-by package:PE=64 --rank-by fill --report-bindings Dataset: Run Directory: /home/eoseret/qaas/qaas_runs/178-176-0594/intel/CoMD/run/oneview_runs/multicore/gcc/oneview_run_1781767694OMP_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_NUM_THREADS: 1OMP_PLACES: threads
Run 1x2	Number processes: 1Run Command: <executable> -x 100 -y 100 -z 100MPI Command: mpirun -n <number_processes> --bind-to core --map-by package:PE=64 --rank-by fill --report-bindings Dataset: Run Directory: /home/eoseret/qaas/qaas_runs/178-176-0594/intel/CoMD/run/oneview_runs/multicore/gcc/oneview_run_1781767694OMP_NUM_THREADS: 2OMP_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 1x4	Number processes: 1Run Command: <executable> -x 100 -y 100 -z 100MPI Command: mpirun -n <number_processes> --bind-to core --map-by package:PE=64 --rank-by fill --report-bindings Dataset: Run Directory: /home/eoseret/qaas/qaas_runs/178-176-0594/intel/CoMD/run/oneview_runs/multicore/gcc/oneview_run_1781767694OMP_NUM_THREADS: 4OMP_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 1x8	Number processes: 1Run Command: <executable> -x 100 -y 100 -z 100MPI Command: mpirun -n <number_processes> --bind-to core --map-by package:PE=64 --rank-by fill --report-bindings Dataset: Run Directory: /home/eoseret/qaas/qaas_runs/178-176-0594/intel/CoMD/run/oneview_runs/multicore/gcc/oneview_run_1781767694OMP_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 1x16	Number processes: 1Run Command: <executable> -x 100 -y 100 -z 100MPI Command: mpirun -n <number_processes> --bind-to core --map-by package:PE=64 --rank-by fill --report-bindings Dataset: Run Directory: /home/eoseret/qaas/qaas_runs/178-176-0594/intel/CoMD/run/oneview_runs/multicore/gcc/oneview_run_1781767694OMP_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 1x24	Number processes: 1Run Command: <executable> -x 100 -y 100 -z 100MPI Command: mpirun -n <number_processes> --bind-to core --map-by package:PE=64 --rank-by fill --report-bindings Dataset: Run Directory: /home/eoseret/qaas/qaas_runs/178-176-0594/intel/CoMD/run/oneview_runs/multicore/gcc/oneview_run_1781767694OMP_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
Run 1x32	Number processes: 1Run Command: <executable> -x 100 -y 100 -z 100MPI Command: mpirun -n <number_processes> --bind-to core --map-by package:PE=64 --rank-by fill --report-bindings Dataset: Run Directory: /home/eoseret/qaas/qaas_runs/178-176-0594/intel/CoMD/run/oneview_runs/multicore/gcc/oneview_run_1781767694OMP_NUM_THREADS: 32OMP_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 1x40	Number processes: 1Run Command: <executable> -x 100 -y 100 -z 100MPI Command: mpirun -n <number_processes> --bind-to core --map-by package:PE=64 --rank-by fill --report-bindings Dataset: Run Directory: /home/eoseret/qaas/qaas_runs/178-176-0594/intel/CoMD/run/oneview_runs/multicore/gcc/oneview_run_1781767694OMP_NUM_THREADS: 40OMP_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 1x48	Number processes: 1Run Command: <executable> -x 100 -y 100 -z 100MPI Command: mpirun -n <number_processes> --bind-to core --map-by package:PE=64 --rank-by fill --report-bindings Dataset: Run Directory: /home/eoseret/qaas/qaas_runs/178-176-0594/intel/CoMD/run/oneview_runs/multicore/gcc/oneview_run_1781767694OMP_NUM_THREADS: 48OMP_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 1x56	Number processes: 1Run Command: <executable> -x 100 -y 100 -z 100MPI Command: mpirun -n <number_processes> --bind-to core --map-by package:PE=64 --rank-by fill --report-bindings Dataset: Run Directory: /home/eoseret/qaas/qaas_runs/178-176-0594/intel/CoMD/run/oneview_runs/multicore/gcc/oneview_run_1781767694OMP_NUM_THREADS: 56OMP_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 1x64	Number processes: 1Run Command: <executable> -x 100 -y 100 -z 100MPI Command: mpirun -n <number_processes> --bind-to core --map-by package:PE=64 --rank-by fill --report-bindings Dataset: Run Directory: /home/eoseret/qaas/qaas_runs/178-176-0594/intel/CoMD/run/oneview_runs/multicore/gcc/oneview_run_1781767694OMP_NUM_THREADS: 64OMP_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

(1x1) Efficiency	(1x1) Potential Speed-Up (%)	(1x2) Efficiency	(1x2) Potential Speed-Up (%)	(1x4) Efficiency	(1x4) Potential Speed-Up (%)	(1x8) Efficiency	(1x8) Potential Speed-Up (%)	(1x16) Efficiency	(1x16) Potential Speed-Up (%)	(1x24) Efficiency	(1x24) Potential Speed-Up (%)	(1x32) Efficiency	(1x32) Potential Speed-Up (%)	(1x40) Efficiency	(1x40) Potential Speed-Up (%)	(1x48) Efficiency	(1x48) Potential Speed-Up (%)	(1x56) Efficiency	(1x56) Potential Speed-Up (%)	(1x64) Efficiency	(1x64) Potential Speed-Up (%)
1	0	0.93	0.01	0.82	0.02	0.93	0.01	0.78	0.02	0.83	0.01	0.78	0.02	0.78	0.02	0.75	0.02	0.77	0.02	0.69	0.03

Speed-Up and Efficiency

▶Detailed Speed-Up and Efficiency

Run	Number of threads	Efficiency (ideal is 1)	Speedup	Ideal Speedup	Time (s)	Coverage (%)
1x1	1	1	1	1	0.53000003099442	0.081279203295708
1x2	1	0.93	1.86	2	0.56499999761581	0.086502112448215
1x4	1	0.82	3.29	4	0.62999999523163	0.096335671842098
1x8	1	0.93	7.42	8	0.53999996185303	0.081854999065399
1x16	1	0.78	12.47	16	0.60499995946884	0.091019742190838
1x24	1	0.83	19.97	24	0.5450000166893	0.081260345876217
1x32	1	0.78	24.9	32	0.58500003814697	0.086717568337917
1x40	1	0.78	31.03	40	0.56499999761581	0.082583636045456
1x48	1	0.75	35.89	48	0.57000005245209	0.08257333189249
1x56	1	0.77	42.9	56	0.5349999666214	0.077216103672981
1x64	1	0.69	43.88	64	0.57499998807907	0.082389950752258

Name	Coverage (%)	Time (s)
○putAtomInBox	0.08	0.53

Report Configuration

Code clean check

Workaround

Vectorization

Details

Workaround

FMA

Workaround

CALL instructions

Details

Conversion instructions

Details

Workaround

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

FMA

Workaround

CALL instructions

Details

Conversion instructions

Details

Workaround

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

Arithmetic intensity

General properties

Front-end

Back-end

Cycles summary

Vectorization ratios

Vector efficiency ratios

Cycles and memory resources usage

Front-end bottlenecks

ASM code

▶Scalability Runs Description

▼Columns Filter

Speed-Up and Efficiency

▶Detailed Speed-Up and Efficiency