Function: .omp_outlined.#0xb09d40 | Module: libgromacs_mpi.so.9.0.0 | Source: mdatoms.cpp:267-438 [...] | Coverage (incl. loops): 0.07% | (excl. loops): 0.00% |
---|
Function: .omp_outlined.#0xb09d40 | Module: libgromacs_mpi.so.9.0.0 | Source: mdatoms.cpp:267-438 [...] | Coverage (incl. loops): 0.07% | (excl. loops): 0.00% |
---|
/usr/lib/gcc/x86_64-redhat-linux/11/../../../../include/c++/11/cmath: 1269 - 1269 |
-------------------------------------------------------------------------------- |
1269: { return __builtin_cbrtf(__x); } |
/home/eoseret/gromacs-2024.2/src/gromacs/mdlib/mdatoms.cpp: 267 - 438 |
-------------------------------------------------------------------------------- |
267: #pragma omp parallel for num_threads(nthreads) schedule(static) firstprivate(molb) |
268: for (int i = 0; i < md->nr; i++) |
[...] |
276: if (index.empty()) |
[...] |
282: ag = index[i]; |
283: } |
284: const t_atom& atom = mtopGetAtomParameters(mtop, ag, &molb); |
285: |
286: if (!md->cFREEZE.empty()) |
287: { |
288: md->cFREEZE[i] = getGroupType(groups, SimulationAtomGroupType::Freeze, ag); |
289: } |
290: if (EI_ENERGY_MINIMIZATION(inputrec.eI)) |
[...] |
308: if (inputrec.bd_fric > 0) |
309: { |
310: mA = 0.5 * inputrec.bd_fric * inputrec.delta_t; |
[...] |
316: fac = inputrec.delta_t |
317: / opts->tau_t[!md->cTC.empty() ? groups.groupNumbers[SimulationAtomGroupType::TemperatureCoupling][ag] |
318: : 0]; |
319: mA = 0.5 * atom.m * fac; |
320: mB = 0.5 * atom.mB * fac; |
321: } |
322: } |
323: else |
324: { |
325: mA = atom.m; |
326: mB = atom.mB; |
327: } |
328: if (md->nMassPerturbed) |
329: { |
330: md->massA[i] = mA; |
331: md->massB[i] = mB; |
332: } |
333: md->massT[i] = mA; |
334: |
335: if (mA == 0.0) |
336: { |
337: md->invmass[i] = 0; |
338: md->invMassPerDim[i][XX] = 0; |
339: md->invMassPerDim[i][YY] = 0; |
340: md->invMassPerDim[i][ZZ] = 0; |
341: } |
342: else if (!md->cFREEZE.empty()) |
343: { |
344: g = md->cFREEZE[i]; |
345: GMX_ASSERT(opts->nFreeze != nullptr, "Must have freeze groups to initialize masses"); |
346: if (opts->nFreeze[g][XX] && opts->nFreeze[g][YY] && opts->nFreeze[g][ZZ]) |
347: { |
348: /* Set the mass of completely frozen particles to ALMOST_ZERO |
349: * iso 0 to avoid div by zero in lincs or shake. |
350: */ |
351: md->invmass[i] = ALMOST_ZERO; |
[...] |
359: md->invmass[i] = 1.0 / mA; |
360: } |
361: for (int d = 0; d < DIM; d++) |
362: { |
363: md->invMassPerDim[i][d] = (opts->nFreeze[g][d] ? 0 : 1.0 / mA); |
364: } |
365: } |
366: else |
367: { |
368: md->invmass[i] = 1.0 / mA; |
369: for (int d = 0; d < DIM; d++) |
370: { |
371: md->invMassPerDim[i][d] = 1.0 / mA; |
372: } |
373: } |
374: |
375: md->chargeA[i] = atom.q; |
376: md->typeA[i] = atom.type; |
377: if (bLJPME) |
378: { |
379: c6 = mtop.ffparams.iparams[atom.type * (mtop.ffparams.atnr + 1)].lj.c6; |
380: c12 = mtop.ffparams.iparams[atom.type * (mtop.ffparams.atnr + 1)].lj.c12; |
381: md->sqrt_c6A[i] = std::sqrt(c6); |
382: if (c6 == 0.0 || c12 == 0) |
[...] |
388: md->sigmaA[i] = gmx::sixthroot(c12 / c6); |
389: } |
390: md->sigma3A[i] = 1 / (md->sigmaA[i] * md->sigmaA[i] * md->sigmaA[i]); |
391: } |
392: if (md->nPerturbed) |
393: { |
394: md->bPerturbed[i] = PERTURBED(atom); |
395: md->chargeB[i] = atom.qB; |
396: md->typeB[i] = atom.typeB; |
397: if (bLJPME) |
398: { |
399: c6 = mtop.ffparams.iparams[atom.typeB * (mtop.ffparams.atnr + 1)].lj.c6; |
400: c12 = mtop.ffparams.iparams[atom.typeB * (mtop.ffparams.atnr + 1)].lj.c12; |
401: md->sqrt_c6B[i] = std::sqrt(c6); |
402: if (c6 == 0.0 || c12 == 0) |
[...] |
408: md->sigmaB[i] = gmx::sixthroot(c12 / c6); |
409: } |
410: md->sigma3B[i] = 1 / (md->sigmaB[i] * md->sigmaB[i] * md->sigmaB[i]); |
411: } |
412: } |
413: md->ptype[i] = atom.ptype; |
414: if (!md->cTC.empty()) |
415: { |
416: md->cTC[i] = groups.groupNumbers[SimulationAtomGroupType::TemperatureCoupling][ag]; |
417: } |
418: md->cENER[i] = getGroupType(groups, SimulationAtomGroupType::EnergyOutput, ag); |
419: if (!md->cACC.empty()) |
420: { |
421: md->cACC[i] = groups.groupNumbers[SimulationAtomGroupType::Acceleration][ag]; |
422: } |
423: if (!md->cVCM.empty()) |
424: { |
425: md->cVCM[i] = groups.groupNumbers[SimulationAtomGroupType::MassCenterVelocityRemoval][ag]; |
426: } |
427: if (!md->cORF.empty()) |
428: { |
429: md->cORF[i] = getGroupType(groups, SimulationAtomGroupType::OrientationRestraintsFit, ag); |
430: } |
431: |
432: if (!md->cU1.empty()) |
433: { |
434: md->cU1[i] = groups.groupNumbers[SimulationAtomGroupType::User1][ag]; |
435: } |
436: if (!md->cU2.empty()) |
437: { |
438: md->cU2[i] = groups.groupNumbers[SimulationAtomGroupType::User2][ag]; |
/home/eoseret/gromacs-2024.2/api/legacy/include/gromacs/math/vectypes.h: 120 - 120 |
-------------------------------------------------------------------------------- |
120: ValueType& operator[](int i) { return x_[i]; } |
/usr/lib/gcc/x86_64-redhat-linux/11/../../../../include/c++/11/bits/stl_vector.h: 919 - 1064 |
-------------------------------------------------------------------------------- |
919: { return size_type(this->_M_impl._M_finish - this->_M_impl._M_start); } |
[...] |
1046: return *(this->_M_impl._M_start + __n); |
[...] |
1064: return *(this->_M_impl._M_start + __n); |
/home/eoseret/gromacs-2024.2/api/legacy/include/gromacs/topology/atoms.h: 375 - 381 |
-------------------------------------------------------------------------------- |
375: return atom.qB != atom.q; |
[...] |
381: return atom.mB != atom.m || atomHasPerturbedCharge(atom) || atom.typeB != atom.type; |
/usr/lib/gcc/x86_64-redhat-linux/11/../../../../include/c++/11/bits/stl_iterator.h: 1028 - 1166 |
-------------------------------------------------------------------------------- |
1028: : _M_current(__i) { } |
[...] |
1166: { return __lhs.base() == __rhs.base(); } |
/home/eoseret/gromacs-2024.2/api/legacy/include/gromacs/utility/arrayref.h: 260 - 260 |
-------------------------------------------------------------------------------- |
260: bool empty() const { return begin_ == end_; } |
/home/eoseret/gromacs-2024.2/src/external/boost/stl_interfaces/iterator_interface.hpp: 305 - 459 |
-------------------------------------------------------------------------------- |
305: D retval = derived(); |
[...] |
459: return detail::common_diff(lhs, rhs) == 0; |
/home/eoseret/gromacs-2024.2/src/gromacs/topology/include/gromacs/topology/mtop_lookup.h: 93 - 159 |
-------------------------------------------------------------------------------- |
93: globalAtomStart = mtop.moleculeBlockIndices[*moleculeBlock].globalAtomStart; |
94: if (globalAtomIndex < globalAtomStart) |
95: { |
96: molBlock1 = *moleculeBlock; |
97: } |
98: else if (globalAtomIndex >= mtop.moleculeBlockIndices[*moleculeBlock].globalAtomEnd) |
[...] |
106: *moleculeBlock = ((molBlock0 + molBlock1 + 1) >> 1); |
[...] |
118: - molIndex * mtop.moleculeBlockIndices[*moleculeBlock].numAtomsPerMolecule; |
[...] |
158: const gmx_moltype_t& moltype = mtop.moltype[mtop.molblock[*moleculeBlock].type]; |
159: return moltype.atoms.atom[atomIndexInMolecule]; |
0xb09d40 PUSH %RBP |
0xb09d41 MOV %RSP,%RBP |
0xb09d44 PUSH %R15 |
0xb09d46 PUSH %R14 |
0xb09d48 PUSH %R13 |
0xb09d4a PUSH %R12 |
0xb09d4c PUSH %RBX |
0xb09d4d SUB $0x48,%RSP |
0xb09d51 MOV %R8,-0x58(%RBP) |
0xb09d55 MOV %RCX,-0x70(%RBP) |
0xb09d59 MOV %RDX,-0x38(%RBP) |
0xb09d5d MOV (%RDX),%RAX |
0xb09d60 MOV 0xc(%RAX),%EBX |
0xb09d63 TEST %EBX,%EBX |
0xb09d65 JLE b09dda |
0xb09d67 MOV %R9,%R12 |
0xb09d6a DEC %EBX |
0xb09d6c MOVL $0,-0x4c(%RBP) |
0xb09d73 MOV %EBX,-0x3c(%RBP) |
0xb09d76 MOVL $0x1,-0x68(%RBP) |
0xb09d7d MOVL $0,-0x64(%RBP) |
0xb09d84 MOV (%RDI),%ESI |
0xb09d86 SUB $0x8,%RSP |
0xb09d8a LEA -0x68(%RBP),%RAX |
0xb09d8e LEA 0x4d0a3b(%RIP),%RDI |
0xb09d95 LEA -0x64(%RBP),%RCX |
0xb09d99 LEA -0x4c(%RBP),%R8 |
0xb09d9d LEA -0x3c(%RBP),%R9 |
0xb09da1 MOV %ESI,-0x5c(%RBP) |
0xb09da4 MOV $0x22,%EDX |
0xb09da9 PUSH $0x1 |
0xb09dab PUSH $0x1 |
0xb09dad PUSH %RAX |
0xb09dae CALL fa67e0 <@plt_start@+0x3330> |
0xb09db3 ADD $0x20,%RSP |
0xb09db7 MOV -0x3c(%RBP),%EAX |
0xb09dba CMP %EBX,%EAX |
0xb09dbc CMOVL %EAX,%EBX |
0xb09dbf MOV %EBX,-0x3c(%RBP) |
0xb09dc2 MOVSXD -0x4c(%RBP),%R15 |
0xb09dc6 CMP %EBX,%R15D |
0xb09dc9 JLE b09e00 |
0xb09dcb LEA 0x4d0a16(%RIP),%RDI |
0xb09dd2 MOV -0x5c(%RBP),%ESI |
0xb09dd5 CALL fa67f0 <@plt_start@+0x3340> |
0xb09dda ADD $0x48,%RSP |
0xb09dde POP %RBX |
0xb09ddf POP %R12 |
0xb09de1 POP %R13 |
0xb09de3 POP %R14 |
0xb09de5 POP %R15 |
0xb09de7 POP %RBP |
0xb09de8 RET |
(1428) 0xb09df0 LEA 0x1(%R15),%RAX |
(1428) 0xb09df4 MOVSXD -0x3c(%RBP),%RCX |
(1428) 0xb09df8 CMP %RCX,%R15 |
(1428) 0xb09dfb MOV %RAX,%R15 |
(1428) 0xb09dfe JGE b09dcb |
(1428) 0xb09e00 MOV -0x70(%RBP),%RCX |
(1428) 0xb09e04 MOV (%RCX),%RAX |
(1428) 0xb09e07 CMP 0x8(%RCX),%RAX |
(1428) 0xb09e0b JE b09e20 |
(1428) 0xb09e0d MOV (%RAX,%R15,4),%R14D |
(1428) 0xb09e11 JMP b09e23 |
(1428) 0xb09e20 MOV %R15D,%R14D |
(1428) 0xb09e23 MOV -0x58(%RBP),%RSI |
(1428) 0xb09e27 MOV 0x88(%RSI),%RCX |
(1428) 0xb09e2e MOV 0x90(%RSI),%RAX |
(1428) 0xb09e35 SUB %RCX,%RAX |
(1428) 0xb09e38 SHR $0x3,%RAX |
(1428) 0xb09e3c IMUL $-0x49249249,%EAX,%EDX |
(1428) 0xb09e42 MOV 0x2e0(%RSI),%RSI |
(1428) 0xb09e49 MOV $-0x1,%EDI |
(1428) 0xb09e4e JMP b09e5d |
(1427) 0xb09e50 MOV %R12D,%EDX |
(1427) 0xb09e53 LEA (%RDX,%RDI,1),%R12D |
(1427) 0xb09e57 INC %R12D |
(1427) 0xb09e5a SAR $0x1,%R12D |
(1427) 0xb09e5d MOVSXD %R12D,%R8 |
(1427) 0xb09e60 LEA (%R8,%R8,2),%R9 |
(1427) 0xb09e64 MOV %R14D,%EAX |
(1427) 0xb09e67 SUB 0x4(%RSI,%R9,8),%EAX |
(1427) 0xb09e6c JL b09e50 |
(1427) 0xb09e6e CMP %R14D,0x8(%RSI,%R9,8) |
(1427) 0xb09e73 JG b09e80 |
(1427) 0xb09e75 MOV %R12D,%EDI |
(1427) 0xb09e78 JMP b09e53 |
(1428) 0xb09e80 CLTD |
(1428) 0xb09e81 IDIVL (%RSI,%R9,8) |
(1428) 0xb09e85 MOV %EDX,%R13D |
(1428) 0xb09e88 IMUL $0x38,%R8,%RAX |
(1428) 0xb09e8c MOVSXD (%RCX,%RAX,1),%RAX |
(1428) 0xb09e90 MOV -0x58(%RBP),%RCX |
(1428) 0xb09e94 MOV 0x70(%RCX),%RCX |
(1428) 0xb09e98 IMUL $0x950,%RAX,%RAX |
(1428) 0xb09e9f MOV 0x10(%RCX,%RAX,1),%RBX |
(1428) 0xb09ea4 MOV -0x38(%RBP),%RAX |
(1428) 0xb09ea8 MOV (%RAX),%RCX |
(1428) 0xb09eab MOV 0x208(%RCX),%RAX |
(1428) 0xb09eb2 CMP 0x210(%RCX),%RAX |
(1428) 0xb09eb9 JE b09edf |
(1428) 0xb09ebb MOV 0x10(%RBP),%RDI |
(1428) 0xb09ebf MOV $0x3,%ESI |
(1428) 0xb09ec4 MOV %R14D,%EDX |
(1428) 0xb09ec7 CALL fabfe0 <@plt_start@+0x8b30> |
(1428) 0xb09ecc MOV -0x38(%RBP),%RCX |
(1428) 0xb09ed0 MOV (%RCX),%RCX |
(1428) 0xb09ed3 MOV 0x208(%RCX),%RDX |
(1428) 0xb09eda MOV %AX,(%RDX,%R15,2) |
(1428) 0xb09edf MOVSXD %R13D,%RAX |
(1428) 0xb09ee2 LEA (%RAX,%RAX,8),%R13 |
(1428) 0xb09ee6 LEA (%RBX,%R13,4),%R9 |
(1428) 0xb09eea MOV 0x18(%RBP),%RAX |
(1428) 0xb09eee MOV 0x4(%RAX),%EAX |
(1428) 0xb09ef1 LEA -0x1(%RAX),%EDX |
(1428) 0xb09ef4 VMOVSS -0x7add70(%RIP),%XMM0 |
(1428) 0xb09efc VMOVAPS %XMM0,%XMM1 |
(1428) 0xb09f00 CMP $0x2,%EDX |
(1428) 0xb09f03 JB b09f70 |
(1428) 0xb09f05 VMOVSS -0x7add81(%RIP),%XMM0 |
(1428) 0xb09f0d VMOVAPS %XMM0,%XMM1 |
(1428) 0xb09f11 CMP $0x6,%EAX |
(1428) 0xb09f14 JE b09f70 |
(1428) 0xb09f16 CMP $0x3,%EAX |
(1428) 0xb09f19 JNE b09f56 |
(1428) 0xb09f1b MOV 0x18(%RBP),%RAX |
(1428) 0xb09f1f VMOVSS 0x208(%RAX),%XMM0 |
(1428) 0xb09f27 VUCOMISS -0x7adbc3(%RIP),%XMM0 |
(1428) 0xb09f2f JBE b0a070 |
(1428) 0xb09f35 VCVTSS2SD %XMM0,%XMM0,%XMM0 |
(1428) 0xb09f39 VMULSD -0x7acde1(%RIP),%XMM0,%XMM0 |
(1428) 0xb09f41 VMULSD 0x58(%RAX),%XMM0,%XMM0 |
(1428) 0xb09f46 VCVTSD2SS %XMM0,%XMM0,%XMM1 |
(1428) 0xb09f4a VMOVAPS %XMM1,%XMM0 |
(1428) 0xb09f4e CMPL $0,0x1c(%RCX) |
(1428) 0xb09f52 JNE b09f76 |
(1428) 0xb09f54 JMP b09f8a |
(1428) 0xb09f56 VMOVSS (%R9),%XMM0 |
(1428) 0xb09f5b VMOVSS 0x8(%RBX,%R13,4),%XMM1 |
(1428) 0xb09f62 NOPW %CS:(%RAX,%RAX,1) |
(1428) 0xb09f70 CMPL $0,0x1c(%RCX) |
(1428) 0xb09f74 JE b09f8a |
(1428) 0xb09f76 MOV 0x30(%RCX),%RAX |
(1428) 0xb09f7a VMOVSS %XMM0,(%RAX,%R15,4) |
(1428) 0xb09f80 MOV 0x48(%RCX),%RAX |
(1428) 0xb09f84 VMOVSS %XMM1,(%RAX,%R15,4) |
(1428) 0xb09f8a MOV 0x60(%RCX),%RAX |
(1428) 0xb09f8e VMOVSS %XMM0,(%RAX,%R15,4) |
(1428) 0xb09f94 VUCOMISS -0x7adc30(%RIP),%XMM0 |
(1428) 0xb09f9c JNE b09fd0 |
(1428) 0xb09f9e JP b09fd0 |
(1428) 0xb09fa0 MOV 0x78(%RCX),%RAX |
(1428) 0xb09fa4 MOVL $0,(%RAX,%R15,4) |
(1428) 0xb09fac MOV 0x98(%RCX),%RAX |
(1428) 0xb09fb3 LEA (%R15,%R15,2),%RDX |
(1428) 0xb09fb7 VXORPS %XMM0,%XMM0,%XMM0 |
(1428) 0xb09fbb VMOVLPS %XMM0,(%RAX,%RDX,4) |
(1428) 0xb09fc0 MOVL $0,0x8(%RAX,%RDX,4) |
(1428) 0xb09fc8 JMP b0a176 |
(1428) 0xb09fd0 MOV 0x208(%RCX),%RAX |
(1428) 0xb09fd7 CMP 0x210(%RCX),%RAX |
(1428) 0xb09fde JE b0a03f |
(1428) 0xb09fe0 MOVZX (%RAX,%R15,2),%EDX |
(1428) 0xb09fe5 MOV 0x20(%RBP),%RAX |
(1428) 0xb09fe9 MOV (%RAX),%RAX |
(1428) 0xb09fec MOV 0x58(%RAX),%RAX |
(1428) 0xb09ff0 LEA (%RDX,%RDX,2),%RDX |
(1428) 0xb09ff4 MOV (%RAX,%RDX,4),%EDI |
(1428) 0xb09ff7 MOV 0x4(%RAX,%RDX,4),%ESI |
(1428) 0xb09ffb TEST %EDI,%EDI |
(1428) 0xb09ffd JE b0a10b |
(1428) 0xb0a003 TEST %ESI,%ESI |
(1428) 0xb0a005 JE b0a094 |
(1428) 0xb0a00b CMPL $0,0x8(%RAX,%RDX,4) |
(1428) 0xb0a010 JE b0a106 |
(1428) 0xb0a016 MOV 0x78(%RCX),%RAX |
(1428) 0xb0a01a MOVL $0xda24260,(%RAX,%R15,4) |
(1428) 0xb0a022 MOV 0x98(%RCX),%RAX |
(1428) 0xb0a029 LEA (%R15,%R15,2),%RDX |
(1428) 0xb0a02d VXORPS %XMM0,%XMM0,%XMM0 |
(1428) 0xb0a031 VMOVLPS %XMM0,(%RAX,%RDX,4) |
(1428) 0xb0a036 VXORPS %XMM0,%XMM0,%XMM0 |
(1428) 0xb0a03a JMP b0a16c |
(1428) 0xb0a03f VMOVSS -0x7adebb(%RIP),%XMM1 |
(1428) 0xb0a047 VDIVSS %XMM0,%XMM1,%XMM0 |
(1428) 0xb0a04b MOV 0x78(%RCX),%RAX |
(1428) 0xb0a04f VMOVSS %XMM0,(%RAX,%R15,4) |
(1428) 0xb0a055 MOV 0x98(%RCX),%RAX |
(1428) 0xb0a05c LEA (%R15,%R15,2),%RDX |
(1428) 0xb0a060 VMOVSS %XMM0,(%RAX,%RDX,4) |
(1428) 0xb0a065 VMOVSS %XMM0,0x4(%RAX,%RDX,4) |
(1428) 0xb0a06b JMP b0a170 |
(1428) 0xb0a070 MOV 0x1c0(%RCX),%RAX |
(1428) 0xb0a077 CMP 0x1c8(%RCX),%RAX |
(1428) 0xb0a07e JE b0a098 |
(1428) 0xb0a080 MOVSXD %R14D,%RAX |
(1428) 0xb0a083 MOV 0x10(%RBP),%RDX |
(1428) 0xb0a087 MOV 0x108(%RDX),%RDX |
(1428) 0xb0a08e MOVZX (%RDX,%RAX,1),%EAX |
(1428) 0xb0a092 JMP b0a09a |
(1428) 0xb0a094 XOR %ESI,%ESI |
(1428) 0xb0a096 JMP b0a10b |
(1428) 0xb0a098 XOR %EAX,%EAX |
(1428) 0xb0a09a MOV 0x18(%RBP),%RDX |
(1428) 0xb0a09e VMOVSD 0x58(%RDX),%XMM0 |
(1428) 0xb0a0a3 MOV 0x20(%RBP),%RDX |
(1428) 0xb0a0a7 MOV (%RDX),%RDX |
(1428) 0xb0a0aa MOV 0x48(%RDX),%RDX |
(1428) 0xb0a0ae VMOVSS (%RDX,%RAX,4),%XMM1 |
(1428) 0xb0a0b3 VCVTSS2SD %XMM1,%XMM1,%XMM1 |
(1428) 0xb0a0b7 VDIVSD %XMM1,%XMM0,%XMM0 |
(1428) 0xb0a0bb VCVTSD2SS %XMM0,%XMM0,%XMM0 |
(1428) 0xb0a0bf VMOVSS (%R9),%XMM1 |
(1428) 0xb0a0c4 VCVTSS2SD %XMM1,%XMM1,%XMM1 |
(1428) 0xb0a0c8 VCVTSS2SD %XMM0,%XMM0,%XMM2 |
(1428) 0xb0a0cc VMOVSD -0x7acf74(%RIP),%XMM3 |
(1428) 0xb0a0d4 VMULSD %XMM3,%XMM1,%XMM0 |
(1428) 0xb0a0d8 VMULSD %XMM2,%XMM0,%XMM0 |
(1428) 0xb0a0dc VCVTSD2SS %XMM0,%XMM0,%XMM0 |
(1428) 0xb0a0e0 VMOVSS 0x8(%RBX,%R13,4),%XMM1 |
(1428) 0xb0a0e7 VCVTSS2SD %XMM1,%XMM1,%XMM1 |
(1428) 0xb0a0eb VMULSD %XMM3,%XMM1,%XMM1 |
(1428) 0xb0a0ef VMULSD %XMM2,%XMM1,%XMM1 |
(1428) 0xb0a0f3 VCVTSD2SS %XMM1,%XMM1,%XMM1 |
(1428) 0xb0a0f7 CMPL $0,0x1c(%RCX) |
(1428) 0xb0a0fb JNE b09f76 |
(1428) 0xb0a101 JMP b09f8a |
(1428) 0xb0a106 MOV $0x1,%ESI |
(1428) 0xb0a10b TEST %EDI,%EDI |
(1428) 0xb0a10d SETE %DIL |
(1428) 0xb0a111 VMOVSS -0x7adf8d(%RIP),%XMM1 |
(1428) 0xb0a119 VDIVSS %XMM0,%XMM1,%XMM0 |
(1428) 0xb0a11d MOV 0x78(%RCX),%R8 |
(1428) 0xb0a121 VMOVSS %XMM0,(%R8,%R15,4) |
(1428) 0xb0a127 MOV 0x8(%RAX,%RDX,4),%EDX |
(1428) 0xb0a12b MOV 0x98(%RCX),%RAX |
(1428) 0xb0a132 LEA (%R15,%R15,2),%R8 |
(1428) 0xb0a136 KMOVD %EDI,%K1 |
(1428) 0xb0a13a VMOVSS %XMM0,%XMM0,%XMM1{%K1}{z} |
(1428) 0xb0a140 VMOVSS %XMM1,(%RAX,%R8,4) |
(1428) 0xb0a146 TEST %ESI,%ESI |
(1428) 0xb0a148 SETE %SIL |
(1428) 0xb0a14c KMOVD %ESI,%K1 |
(1428) 0xb0a150 VMOVSS %XMM0,%XMM0,%XMM1{%K1}{z} |
(1428) 0xb0a156 VMOVSS %XMM1,0x4(%RAX,%R8,4) |
(1428) 0xb0a15d TEST %EDX,%EDX |
(1428) 0xb0a15f SETE %DL |
(1428) 0xb0a162 KMOVD %EDX,%K1 |
(1428) 0xb0a166 VMOVSS %XMM0,%XMM0,%XMM0{%K1}{z} |
(1428) 0xb0a16c LEA (%R15,%R15,2),%RDX |
(1428) 0xb0a170 VMOVSS %XMM0,0x8(%RAX,%RDX,4) |
(1428) 0xb0a176 VMOVSS 0x4(%RBX,%R13,4),%XMM0 |
(1428) 0xb0a17d MOV 0xb0(%RCX),%RAX |
(1428) 0xb0a184 VMOVSS %XMM0,(%RAX,%R15,4) |
(1428) 0xb0a18a MOVZX 0x10(%RBX,%R13,4),%EAX |
(1428) 0xb0a190 MOV 0x178(%RCX),%RDX |
(1428) 0xb0a197 MOV %EAX,(%RDX,%R15,4) |
(1428) 0xb0a19b MOV 0x28(%RBP),%RDX |
(1428) 0xb0a19f CMPB $0,(%RDX) |
(1428) 0xb0a1a2 JE b0a2a6 |
(1428) 0xb0a1a8 MOV -0x58(%RBP),%RDX |
(1428) 0xb0a1ac MOVSXD 0x8(%RDX),%RCX |
(1428) 0xb0a1b0 INC %RCX |
(1428) 0xb0a1b3 IMUL %RAX,%RCX |
(1428) 0xb0a1b7 MOV 0x28(%RDX),%RAX |
(1428) 0xb0a1bb LEA (%RCX,%RCX,2),%RCX |
(1428) 0xb0a1bf SAL $0x4,%RCX |
(1428) 0xb0a1c3 VMOVSS (%RAX,%RCX,1),%XMM1 |
(1428) 0xb0a1c8 VMOVSS 0x4(%RAX,%RCX,1),%XMM2 |
(1428) 0xb0a1ce VUCOMISS -0x7ade6a(%RIP),%XMM1 |
(1428) 0xb0a1d6 JB b0a1e0 |
(1428) 0xb0a1d8 VSQRTSS %XMM1,%XMM1,%XMM0 |
(1428) 0xb0a1dc JMP b0a211 |
(1428) 0xb0a1e0 VMOVAPS %XMM1,%XMM0 |
(1428) 0xb0a1e4 MOV %R13,-0x48(%RBP) |
(1428) 0xb0a1e8 MOV %RBX,%R13 |
(1428) 0xb0a1eb MOV %R9,%RBX |
(1428) 0xb0a1ee VMOVSS %XMM1,-0x40(%RBP) |
(1428) 0xb0a1f3 VMOVSS %XMM2,-0x60(%RBP) |
(1428) 0xb0a1f8 CALL fa66c0 <@plt_start@+0x3210> |
(1428) 0xb0a1fd VMOVSS -0x60(%RBP),%XMM2 |
(1428) 0xb0a202 VMOVSS -0x40(%RBP),%XMM1 |
(1428) 0xb0a207 MOV %RBX,%R9 |
(1428) 0xb0a20a MOV %R13,%RBX |
(1428) 0xb0a20d MOV -0x48(%RBP),%R13 |
(1428) 0xb0a211 MOV -0x38(%RBP),%RAX |
(1428) 0xb0a215 MOV (%RAX),%RCX |
(1428) 0xb0a218 MOV 0xd0(%RCX),%RAX |
(1428) 0xb0a21f VMOVSS %XMM0,(%RAX,%R15,4) |
(1428) 0xb0a225 VXORPS %XMM0,%XMM0,%XMM0 |
(1428) 0xb0a229 VUCOMISS %XMM0,%XMM1 |
(1428) 0xb0a22d JNE b0a231 |
(1428) 0xb0a22f JNP b0a25e |
(1428) 0xb0a231 VUCOMISS %XMM0,%XMM2 |
(1428) 0xb0a235 VMOVSS -0x7ae0b1(%RIP),%XMM0 |
(1428) 0xb0a23d JNE b0a241 |
(1428) 0xb0a23f JNP b0a278 |
(1428) 0xb0a241 MOV %R9,-0x48(%RBP) |
(1428) 0xb0a245 VDIVSS %XMM1,%XMM2,%XMM0 |
(1428) 0xb0a249 CALL fa66b0 <@plt_start@+0x3200> |
(1428) 0xb0a24e VUCOMISS -0x7adeea(%RIP),%XMM0 |
(1428) 0xb0a256 JB b0a268 |
(1428) 0xb0a258 VSQRTSS %XMM0,%XMM0,%XMM0 |
(1428) 0xb0a25c JMP b0a26d |
(1428) 0xb0a25e VMOVSS -0x7ae0da(%RIP),%XMM0 |
(1428) 0xb0a266 JMP b0a278 |
(1428) 0xb0a268 CALL fa66c0 <@plt_start@+0x3210> |
(1428) 0xb0a26d MOV -0x38(%RBP),%RAX |
(1428) 0xb0a271 MOV (%RAX),%RCX |
(1428) 0xb0a274 MOV -0x48(%RBP),%R9 |
(1428) 0xb0a278 MOV 0x100(%RCX),%RAX |
(1428) 0xb0a27f VMOVSS %XMM0,(%RAX,%R15,4) |
(1428) 0xb0a285 VMULSS %XMM0,%XMM0,%XMM1 |
(1428) 0xb0a289 VMULSS %XMM1,%XMM0,%XMM0 |
(1428) 0xb0a28d VMOVSS -0x7ae109(%RIP),%XMM1 |
(1428) 0xb0a295 VDIVSS %XMM0,%XMM1,%XMM0 |
(1428) 0xb0a299 MOV 0x130(%RCX),%RAX |
(1428) 0xb0a2a0 VMOVSS %XMM0,(%RAX,%R15,4) |
(1428) 0xb0a2a6 CMPL $0,0x18(%RCX) |
(1428) 0xb0a2aa JE b0a424 |
(1428) 0xb0a2b0 VMOVSS 0x8(%RBX,%R13,4),%XMM0 |
(1428) 0xb0a2b7 MOV $0x1,%AL |
(1428) 0xb0a2b9 VUCOMISS (%R9),%XMM0 |
(1428) 0xb0a2be JNE b0a2f0 |
(1428) 0xb0a2c0 JP b0a2f0 |
(1428) 0xb0a2c2 LEA (%RBX,%R13,4),%RCX |
(1428) 0xb0a2c6 ADD $0x4,%RCX |
(1428) 0xb0a2ca VMOVSS 0xc(%RBX,%R13,4),%XMM0 |
(1428) 0xb0a2d1 VUCOMISS (%RCX),%XMM0 |
(1428) 0xb0a2d5 JNE b0a2f0 |
(1428) 0xb0a2d7 JP b0a2f0 |
(1428) 0xb0a2d9 LEA (%RBX,%R13,4),%RAX |
(1428) 0xb0a2dd ADD $0x10,%RAX |
(1428) 0xb0a2e1 MOVZX 0x12(%RBX,%R13,4),%ECX |
(1428) 0xb0a2e7 CMP (%RAX),%CX |
(1428) 0xb0a2ea SETNE %AL |
(1428) 0xb0a2ed NOPL (%RAX) |
(1428) 0xb0a2f0 MOVZX %AL,%ESI |
(1428) 0xb0a2f3 LEA -0x30(%RBP),%RDI |
(1428) 0xb0a2f7 CALL fa39c0 <@plt_start@+0x510> |
(1428) 0xb0a2fc MOV -0x38(%RBP),%RAX |
(1428) 0xb0a300 MOV (%RAX),%RCX |
(1428) 0xb0a303 MOV 0x160(%RCX),%RAX |
(1428) 0xb0a30a MOVZX -0x30(%RBP),%EDX |
(1428) 0xb0a30e MOV %DL,(%RAX,%R15,1) |
(1428) 0xb0a312 VMOVSS 0xc(%RBX,%R13,4),%XMM0 |
(1428) 0xb0a319 MOV 0xc0(%RCX),%RAX |
(1428) 0xb0a320 VMOVSS %XMM0,(%RAX,%R15,4) |
(1428) 0xb0a326 MOVZX 0x12(%RBX,%R13,4),%EAX |
(1428) 0xb0a32c MOV 0x190(%RCX),%RDX |
(1428) 0xb0a333 MOV %EAX,(%RDX,%R15,4) |
(1428) 0xb0a337 MOV 0x28(%RBP),%RDX |
(1428) 0xb0a33b CMPB $0,(%RDX) |
(1428) 0xb0a33e JE b0a424 |
(1428) 0xb0a344 MOV -0x58(%RBP),%RDX |
(1428) 0xb0a348 MOVSXD 0x8(%RDX),%RCX |
(1428) 0xb0a34c INC %RCX |
(1428) 0xb0a34f IMUL %RAX,%RCX |
(1428) 0xb0a353 MOV 0x28(%RDX),%RAX |
(1428) 0xb0a357 LEA (%RCX,%RCX,2),%RCX |
(1428) 0xb0a35b SAL $0x4,%RCX |
(1428) 0xb0a35f VMOVSS (%RAX,%RCX,1),%XMM1 |
(1428) 0xb0a364 VMOVSS 0x4(%RAX,%RCX,1),%XMM2 |
(1428) 0xb0a36a VUCOMISS -0x7ae006(%RIP),%XMM1 |
(1428) 0xb0a372 JB b0a37a |
(1428) 0xb0a374 VSQRTSS %XMM1,%XMM1,%XMM0 |
(1428) 0xb0a378 JMP b0a397 |
(1428) 0xb0a37a VMOVAPS %XMM1,%XMM0 |
(1428) 0xb0a37e VMOVSS %XMM1,-0x48(%RBP) |
(1428) 0xb0a383 VMOVSS %XMM2,-0x40(%RBP) |
(1428) 0xb0a388 CALL fa66c0 <@plt_start@+0x3210> |
(1428) 0xb0a38d VMOVSS -0x40(%RBP),%XMM2 |
(1428) 0xb0a392 VMOVSS -0x48(%RBP),%XMM1 |
(1428) 0xb0a397 MOV -0x38(%RBP),%RAX |
(1428) 0xb0a39b MOV (%RAX),%RCX |
(1428) 0xb0a39e MOV 0xe8(%RCX),%RAX |
(1428) 0xb0a3a5 VMOVSS %XMM0,(%RAX,%R15,4) |
(1428) 0xb0a3ab VXORPS %XMM0,%XMM0,%XMM0 |
(1428) 0xb0a3af VUCOMISS %XMM0,%XMM1 |
(1428) 0xb0a3b3 JNE b0a3b7 |
(1428) 0xb0a3b5 JNP b0a3e0 |
(1428) 0xb0a3b7 VUCOMISS %XMM0,%XMM2 |
(1428) 0xb0a3bb VMOVSS -0x7ae237(%RIP),%XMM0 |
(1428) 0xb0a3c3 JNE b0a3c7 |
(1428) 0xb0a3c5 JNP b0a3f6 |
(1428) 0xb0a3c7 VDIVSS %XMM1,%XMM2,%XMM0 |
(1428) 0xb0a3cb CALL fa66b0 <@plt_start@+0x3200> |
(1428) 0xb0a3d0 VUCOMISS -0x7ae06c(%RIP),%XMM0 |
(1428) 0xb0a3d8 JB b0a3ea |
(1428) 0xb0a3da VSQRTSS %XMM0,%XMM0,%XMM0 |
(1428) 0xb0a3de JMP b0a3ef |
(1428) 0xb0a3e0 VMOVSS -0x7ae25c(%RIP),%XMM0 |
(1428) 0xb0a3e8 JMP b0a3f6 |
(1428) 0xb0a3ea CALL fa66c0 <@plt_start@+0x3210> |
(1428) 0xb0a3ef MOV -0x38(%RBP),%RAX |
(1428) 0xb0a3f3 MOV (%RAX),%RCX |
(1428) 0xb0a3f6 MOV 0x118(%RCX),%RAX |
(1428) 0xb0a3fd VMOVSS %XMM0,(%RAX,%R15,4) |
(1428) 0xb0a403 VMULSS %XMM0,%XMM0,%XMM1 |
(1428) 0xb0a407 VMULSS %XMM1,%XMM0,%XMM0 |
(1428) 0xb0a40b VMOVSS -0x7ae287(%RIP),%XMM1 |
(1428) 0xb0a413 VDIVSS %XMM0,%XMM1,%XMM0 |
(1428) 0xb0a417 MOV 0x148(%RCX),%RAX |
(1428) 0xb0a41e VMOVSS %XMM0,(%RAX,%R15,4) |
(1428) 0xb0a424 MOV 0x14(%RBX,%R13,4),%EAX |
(1428) 0xb0a429 MOV 0x1a8(%RCX),%RDX |
(1428) 0xb0a430 MOV %EAX,(%RDX,%R15,4) |
(1428) 0xb0a434 MOV 0x1c0(%RCX),%RAX |
(1428) 0xb0a43b CMP 0x1c8(%RCX),%RAX |
(1428) 0xb0a442 MOV 0x10(%RBP),%RDI |
(1428) 0xb0a446 JE b0a45b |
(1428) 0xb0a448 MOVSXD %R14D,%RCX |
(1428) 0xb0a44b MOV 0x108(%RDI),%RDX |
(1428) 0xb0a452 MOVZX (%RDX,%RCX,1),%ECX |
(1428) 0xb0a456 MOV %CX,(%RAX,%R15,2) |
(1428) 0xb0a45b MOV $0x1,%ESI |
(1428) 0xb0a460 MOV %R14D,%EDX |
(1428) 0xb0a463 CALL fabfe0 <@plt_start@+0x8b30> |
(1428) 0xb0a468 MOV -0x38(%RBP),%RCX |
(1428) 0xb0a46c MOV (%RCX),%RCX |
(1428) 0xb0a46f MOV 0x1d8(%RCX),%RDX |
(1428) 0xb0a476 MOV %AX,(%RDX,%R15,2) |
(1428) 0xb0a47b MOV 0x1f0(%RCX),%RAX |
(1428) 0xb0a482 CMP 0x1f8(%RCX),%RAX |
(1428) 0xb0a489 MOV 0x10(%RBP),%RDI |
(1428) 0xb0a48d JE b0a4a2 |
(1428) 0xb0a48f MOVSXD %R14D,%RDX |
(1428) 0xb0a492 MOV 0x138(%RDI),%RSI |
(1428) 0xb0a499 MOVZX (%RSI,%RDX,1),%EDX |
(1428) 0xb0a49d MOV %DX,(%RAX,%R15,2) |
(1428) 0xb0a4a2 MOV 0x220(%RCX),%RAX |
(1428) 0xb0a4a9 CMP 0x228(%RCX),%RAX |
(1428) 0xb0a4b0 JE b0a4c5 |
(1428) 0xb0a4b2 MOVSXD %R14D,%RDX |
(1428) 0xb0a4b5 MOV 0x198(%RDI),%RSI |
(1428) 0xb0a4bc MOVZX (%RSI,%RDX,1),%EDX |
(1428) 0xb0a4c0 MOV %DX,(%RAX,%R15,2) |
(1428) 0xb0a4c5 MOV 0x268(%RCX),%RAX |
(1428) 0xb0a4cc CMP 0x270(%RCX),%RAX |
(1428) 0xb0a4d3 JE b0a4f9 |
(1428) 0xb0a4d5 MOV $0x8,%ESI |
(1428) 0xb0a4da MOV %R14D,%EDX |
(1428) 0xb0a4dd CALL fabfe0 <@plt_start@+0x8b30> |
(1428) 0xb0a4e2 MOV -0x38(%RBP),%RCX |
(1428) 0xb0a4e6 MOV (%RCX),%RCX |
(1428) 0xb0a4e9 MOV 0x268(%RCX),%RDX |
(1428) 0xb0a4f0 MOV %AX,(%RDX,%R15,2) |
(1428) 0xb0a4f5 MOV 0x10(%RBP),%RDI |
(1428) 0xb0a4f9 MOV 0x238(%RCX),%RAX |
(1428) 0xb0a500 CMP 0x240(%RCX),%RAX |
(1428) 0xb0a507 JE b0a51c |
(1428) 0xb0a509 MOVSXD %R14D,%RDX |
(1428) 0xb0a50c MOV 0x168(%RDI),%RSI |
(1428) 0xb0a513 MOVZX (%RSI,%RDX,1),%EDX |
(1428) 0xb0a517 MOV %DX,(%RAX,%R15,2) |
(1428) 0xb0a51c MOV 0x250(%RCX),%RAX |
(1428) 0xb0a523 CMP 0x258(%RCX),%RAX |
(1428) 0xb0a52a JE b09df0 |
(1428) 0xb0a530 MOVSXD %R14D,%RCX |
(1428) 0xb0a533 MOV 0x180(%RDI),%RDX |
(1428) 0xb0a53a MOVZX (%RDX,%RCX,1),%ECX |
(1428) 0xb0a53e MOV %CX,(%RAX,%R15,2) |
(1428) 0xb0a543 JMP b09df0 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►100.00+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | atoms2md(gmx_mtop_t const&, t_[...] | mdatoms.cpp:267 | libgromacs_mpi.so.9.0.0 |
○ | gmx::mdAlgorithmsSetupAtomData[...] | stl_vector.h:353 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3287 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►100.00+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | atoms2md(gmx_mtop_t const&, t_[...] | mdatoms.cpp:267 | libgromacs_mpi.so.9.0.0 |
○ | gmx::mdAlgorithmsSetupAtomData[...] | stl_vector.h:353 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3287 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►100.00+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | atoms2md(gmx_mtop_t const&, t_[...] | mdatoms.cpp:267 | libgromacs_mpi.so.9.0.0 |
○ | gmx::mdAlgorithmsSetupAtomData[...] | stl_vector.h:353 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3287 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►70.25+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | atoms2md(gmx_mtop_t const&, t_[...] | mdatoms.cpp:267 | libgromacs_mpi.so.9.0.0 |
○ | gmx::mdAlgorithmsSetupAtomData[...] | stl_vector.h:353 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3287 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►14.88+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | atoms2md(gmx_mtop_t const&, t_[...] | mdatoms.cpp:267 | libgromacs_mpi.so.9.0.0 |
○ | gmx::mdAlgorithmsSetupAtomData[...] | stl_vector.h:353 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3287 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
►14.88+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | atoms2md(gmx_mtop_t const&, t_[...] | mdatoms.cpp:267 | libgromacs_mpi.so.9.0.0 |
○ | gmx::mdAlgorithmsSetupAtomData[...] | stl_vector.h:353 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3287 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►80.80+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | atoms2md(gmx_mtop_t const&, t_[...] | mdatoms.cpp:267 | libgromacs_mpi.so.9.0.0 |
○ | gmx::mdAlgorithmsSetupAtomData[...] | stl_vector.h:353 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3287 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►13.24+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | atoms2md(gmx_mtop_t const&, t_[...] | mdatoms.cpp:267 | libgromacs_mpi.so.9.0.0 |
○ | gmx::mdAlgorithmsSetupAtomData[...] | stl_vector.h:353 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3287 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
►5.96+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | atoms2md(gmx_mtop_t const&, t_[...] | mdatoms.cpp:267 | libgromacs_mpi.so.9.0.0 |
○ | gmx::mdAlgorithmsSetupAtomData[...] | stl_vector.h:353 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3287 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►82.89+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | atoms2md(gmx_mtop_t const&, t_[...] | mdatoms.cpp:267 | libgromacs_mpi.so.9.0.0 |
○ | gmx::mdAlgorithmsSetupAtomData[...] | stl_vector.h:353 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3287 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►15.13+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | atoms2md(gmx_mtop_t const&, t_[...] | mdatoms.cpp:267 | libgromacs_mpi.so.9.0.0 |
○ | gmx::mdAlgorithmsSetupAtomData[...] | stl_vector.h:353 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3287 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
►1.97+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | atoms2md(gmx_mtop_t const&, t_[...] | mdatoms.cpp:267 | libgromacs_mpi.so.9.0.0 |
○ | gmx::mdAlgorithmsSetupAtomData[...] | stl_vector.h:353 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3287 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►95.45+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | atoms2md(gmx_mtop_t const&, t_[...] | mdatoms.cpp:267 | libgromacs_mpi.so.9.0.0 |
○ | gmx::mdAlgorithmsSetupAtomData[...] | stl_vector.h:353 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3287 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.64+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | atoms2md(gmx_mtop_t const&, t_[...] | mdatoms.cpp:267 | libgromacs_mpi.so.9.0.0 |
○ | gmx::mdAlgorithmsSetupAtomData[...] | stl_vector.h:353 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3287 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►81.88+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | atoms2md(gmx_mtop_t const&, t_[...] | mdatoms.cpp:267 | libgromacs_mpi.so.9.0.0 |
○ | gmx::mdAlgorithmsSetupAtomData[...] | stl_vector.h:353 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3287 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►8.36+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | atoms2md(gmx_mtop_t const&, t_[...] | mdatoms.cpp:267 | libgromacs_mpi.so.9.0.0 |
○ | gmx::mdAlgorithmsSetupAtomData[...] | stl_vector.h:353 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3287 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
►5.92+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | atoms2md(gmx_mtop_t const&, t_[...] | mdatoms.cpp:267 | libgromacs_mpi.so.9.0.0 |
○ | gmx::mdAlgorithmsSetupAtomData[...] | stl_vector.h:353 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3287 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
►2.44+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | atoms2md(gmx_mtop_t const&, t_[...] | mdatoms.cpp:267 | libgromacs_mpi.so.9.0.0 |
○ | gmx::mdAlgorithmsSetupAtomData[...] | stl_vector.h:353 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3287 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
►1.39+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | atoms2md(gmx_mtop_t const&, t_[...] | mdatoms.cpp:267 | libgromacs_mpi.so.9.0.0 |
○ | gmx::mdAlgorithmsSetupAtomData[...] | stl_vector.h:353 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3287 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:368 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►98.93+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | atoms2md(gmx_mtop_t const&, t_[...] | mdatoms.cpp:267 | libgromacs_mpi.so.9.0.0 |
○ | gmx::mdAlgorithmsSetupAtomData[...] | stl_vector.h:353 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3287 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.07+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | atoms2md(gmx_mtop_t const&, t_[...] | mdatoms.cpp:267 | libgromacs_mpi.so.9.0.0 |
○ | gmx::mdAlgorithmsSetupAtomData[...] | stl_vector.h:353 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3287 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:368 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 |
Path / |
The code analyzed by CQA in that panel excludes loops and represents 0.00% of application time for run 1x1
Source file and lines | mdatoms.cpp:267-438 |
Module | libgromacs_mpi.so.9.0.0 |
nb instructions | 53 |
nb uops | 55 |
loop length | 169 |
used x86 registers | 14 |
used mmx registers | 0 |
used xmm registers | 0 |
used ymm registers | 0 |
used zmm registers | 0 |
nb stack references | 8 |
micro-operation queue | 9.17 cycles |
front end | 9.17 cycles |
ALU0/BRU0 | ALU1 | ALU2 | ALU3 | BRU1 | AGU0 | AGU1 | AGU2 | FP0 | FP1 | FP2 | FP3 | FP4 | FP5 | |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
uops | 5.00 | 5.00 | 4.75 | 4.75 | 2.50 | 5.67 | 5.67 | 5.67 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
cycles | 5.00 | 5.00 | 4.75 | 4.75 | 2.50 | 5.67 | 5.67 | 5.67 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
Cycles executing div or sqrt instructions | NA |
Front-end | 9.17 |
Dispatch | 5.67 |
Overall L1 | 9.17 |
all | 0% |
load | 0% |
store | 0% |
mul | NA (no mul vectorizable/vectorized instructions) |
add-sub | 0% |
fma | NA (no fma vectorizable/vectorized instructions) |
div/sqrt | NA (no div/sqrt vectorizable/vectorized instructions) |
other | 0% |
all | 7% |
load | 7% |
store | 8% |
mul | NA (no mul vectorizable/vectorized instructions) |
add-sub | 6% |
fma | NA (no fma vectorizable/vectorized instructions) |
div/sqrt | NA (no div/sqrt vectorizable/vectorized instructions) |
other | 7% |
Instruction | Nb FU | ALU0/BRU0 | ALU1 | ALU2 | ALU3 | BRU1 | AGU0 | AGU1 | AGU2 | FP0 | FP1 | FP2 | FP3 | FP4 | FP5 | Latency | Recip. throughput | Vectorization |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
PUSH %RBP | 1 | 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 | 0.17 | N/A |
PUSH %R15 | 1 | 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 | 1 | 0.50 | N/A |
PUSH %R13 | 1 | 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 | 1 | 0.50 | N/A |
PUSH %RBX | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | N/A |
SUB $0x48,%RSP | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
MOV %R8,-0x58(%RBP) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0.50 | scal (12.5%) |
MOV %RCX,-0x70(%RBP) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0.50 | scal (12.5%) |
MOV %RDX,-0x38(%RBP) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0.50 | scal (12.5%) |
MOV (%RDX),%RAX | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0.33 | N/A |
MOV 0xc(%RAX),%EBX | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0.33 | scal (6.3%) |
TEST %EBX,%EBX | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | scal (6.3%) |
JLE b09dda <.omp_outlined.+0x9a> | 1 | 0.50 | 0 | 0 | 0 | 0.50 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50-1 | N/A |
MOV %R9,%R12 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 | scal (12.5%) |
DEC %EBX | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | scal (6.3%) |
MOVL $0,-0x4c(%RBP) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0.50 | scal (6.3%) |
MOV %EBX,-0x3c(%RBP) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0.50 | scal (6.3%) |
MOVL $0x1,-0x68(%RBP) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0.50 | scal (6.3%) |
MOVL $0,-0x64(%RBP) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0.50 | scal (6.3%) |
MOV (%RDI),%ESI | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0.33 | scal (6.3%) |
SUB $0x8,%RSP | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
LEA -0x68(%RBP),%RAX | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
LEA 0x4d0a3b(%RIP),%RDI | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
LEA -0x64(%RBP),%RCX | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
LEA -0x4c(%RBP),%R8 | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
LEA -0x3c(%RBP),%R9 | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
MOV %ESI,-0x5c(%RBP) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0.50 | scal (6.3%) |
MOV $0x22,%EDX | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
PUSH $0x1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | N/A |
PUSH $0x1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | N/A |
PUSH %RAX | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | N/A |
CALL fa67e0 <@plt_start@+0x3330> | 2 | 0.50 | 0 | 0 | 0 | 0.50 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.50 | N/A |
ADD $0x20,%RSP | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
MOV -0x3c(%RBP),%EAX | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0.33 | N/A |
CMP %EBX,%EAX | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | scal (6.3%) |
CMOVL %EAX,%EBX | 1 | 0.50 | 0 | 0 | 0.50 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | scal (6.3%) |
MOV %EBX,-0x3c(%RBP) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0.50 | scal (6.3%) |
MOVSXD -0x4c(%RBP),%R15 | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.33 | scal (12.5%) |
CMP %EBX,%R15D | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | scal (6.3%) |
JLE b09e00 <.omp_outlined.+0xc0> | 1 | 0.50 | 0 | 0 | 0 | 0.50 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50-1 | N/A |
LEA 0x4d0a16(%RIP),%RDI | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
MOV -0x5c(%RBP),%ESI | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0.33 | scal (6.3%) |
CALL fa67f0 <@plt_start@+0x3340> | 2 | 0.50 | 0 | 0 | 0 | 0.50 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.50 | N/A |
ADD $0x48,%RSP | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
POP %RBX | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.33 | N/A |
POP %R12 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.33 | N/A |
POP %R13 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.33 | N/A |
POP %R14 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.33 | N/A |
POP %R15 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.33 | N/A |
POP %RBP | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.33 | N/A |
RET | 1 | 0.50 | 0 | 0 | 0 | 0.50 | 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 0.00% of application time for run 1x1
Source file and lines | mdatoms.cpp:267-438 |
Module | libgromacs_mpi.so.9.0.0 |
nb instructions | 53 |
nb uops | 55 |
loop length | 169 |
used x86 registers | 14 |
used mmx registers | 0 |
used xmm registers | 0 |
used ymm registers | 0 |
used zmm registers | 0 |
nb stack references | 8 |
micro-operation queue | 9.17 cycles |
front end | 9.17 cycles |
ALU0/BRU0 | ALU1 | ALU2 | ALU3 | BRU1 | AGU0 | AGU1 | AGU2 | FP0 | FP1 | FP2 | FP3 | FP4 | FP5 | |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
uops | 5.00 | 5.00 | 4.75 | 4.75 | 2.50 | 5.67 | 5.67 | 5.67 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
cycles | 5.00 | 5.00 | 4.75 | 4.75 | 2.50 | 5.67 | 5.67 | 5.67 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
Cycles executing div or sqrt instructions | NA |
Front-end | 9.17 |
Dispatch | 5.67 |
Overall L1 | 9.17 |
all | 0% |
load | 0% |
store | 0% |
mul | NA (no mul vectorizable/vectorized instructions) |
add-sub | 0% |
fma | NA (no fma vectorizable/vectorized instructions) |
div/sqrt | NA (no div/sqrt vectorizable/vectorized instructions) |
other | 0% |
all | 7% |
load | 7% |
store | 8% |
mul | NA (no mul vectorizable/vectorized instructions) |
add-sub | 6% |
fma | NA (no fma vectorizable/vectorized instructions) |
div/sqrt | NA (no div/sqrt vectorizable/vectorized instructions) |
other | 7% |
Instruction | Nb FU | ALU0/BRU0 | ALU1 | ALU2 | ALU3 | BRU1 | AGU0 | AGU1 | AGU2 | FP0 | FP1 | FP2 | FP3 | FP4 | FP5 | Latency | Recip. throughput | Vectorization |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
PUSH %RBP | 1 | 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 | 0.17 | N/A |
PUSH %R15 | 1 | 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 | 1 | 0.50 | N/A |
PUSH %R13 | 1 | 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 | 1 | 0.50 | N/A |
PUSH %RBX | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | N/A |
SUB $0x48,%RSP | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
MOV %R8,-0x58(%RBP) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0.50 | scal (12.5%) |
MOV %RCX,-0x70(%RBP) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0.50 | scal (12.5%) |
MOV %RDX,-0x38(%RBP) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0.50 | scal (12.5%) |
MOV (%RDX),%RAX | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0.33 | N/A |
MOV 0xc(%RAX),%EBX | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0.33 | scal (6.3%) |
TEST %EBX,%EBX | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | scal (6.3%) |
JLE b09dda <.omp_outlined.+0x9a> | 1 | 0.50 | 0 | 0 | 0 | 0.50 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50-1 | N/A |
MOV %R9,%R12 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 | scal (12.5%) |
DEC %EBX | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | scal (6.3%) |
MOVL $0,-0x4c(%RBP) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0.50 | scal (6.3%) |
MOV %EBX,-0x3c(%RBP) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0.50 | scal (6.3%) |
MOVL $0x1,-0x68(%RBP) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0.50 | scal (6.3%) |
MOVL $0,-0x64(%RBP) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0.50 | scal (6.3%) |
MOV (%RDI),%ESI | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0.33 | scal (6.3%) |
SUB $0x8,%RSP | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
LEA -0x68(%RBP),%RAX | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
LEA 0x4d0a3b(%RIP),%RDI | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
LEA -0x64(%RBP),%RCX | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
LEA -0x4c(%RBP),%R8 | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
LEA -0x3c(%RBP),%R9 | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
MOV %ESI,-0x5c(%RBP) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0.50 | scal (6.3%) |
MOV $0x22,%EDX | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
PUSH $0x1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | N/A |
PUSH $0x1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | N/A |
PUSH %RAX | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | N/A |
CALL fa67e0 <@plt_start@+0x3330> | 2 | 0.50 | 0 | 0 | 0 | 0.50 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.50 | N/A |
ADD $0x20,%RSP | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
MOV -0x3c(%RBP),%EAX | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0.33 | N/A |
CMP %EBX,%EAX | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | scal (6.3%) |
CMOVL %EAX,%EBX | 1 | 0.50 | 0 | 0 | 0.50 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | scal (6.3%) |
MOV %EBX,-0x3c(%RBP) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0.50 | scal (6.3%) |
MOVSXD -0x4c(%RBP),%R15 | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.33 | scal (12.5%) |
CMP %EBX,%R15D | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | scal (6.3%) |
JLE b09e00 <.omp_outlined.+0xc0> | 1 | 0.50 | 0 | 0 | 0 | 0.50 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50-1 | N/A |
LEA 0x4d0a16(%RIP),%RDI | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
MOV -0x5c(%RBP),%ESI | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0.33 | scal (6.3%) |
CALL fa67f0 <@plt_start@+0x3340> | 2 | 0.50 | 0 | 0 | 0 | 0.50 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.50 | N/A |
ADD $0x48,%RSP | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
POP %RBX | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.33 | N/A |
POP %R12 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.33 | N/A |
POP %R13 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.33 | N/A |
POP %R14 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.33 | N/A |
POP %R15 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.33 | N/A |
POP %RBP | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.33 | N/A |
RET | 1 | 0.50 | 0 | 0 | 0 | 0.50 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | N/A |
Run 1x1 | Number processes: 1Number processes per node: 1OMP_NUM_THREADS: 1 |
---|---|
Run 2x1 | Number processes: 2Number processes per node: 2OMP_NUM_THREADS: 1 |
Run 4x1 | Number processes: 4Number processes per node: 4OMP_NUM_THREADS: 1 |
Run 8x1 | Number processes: 8Number processes per node: 8OMP_NUM_THREADS: 1 |
Run 16x1 | Number processes: 16Number processes per node: 16OMP_NUM_THREADS: 1 |
Run 32x1 | Number processes: 32Number processes per node: 32OMP_NUM_THREADS: 1 |
Run 64x1 | Number processes: 64Number processes per node: 64OMP_NUM_THREADS: 1 |
Run 128x1 | Number processes: 128Number processes per node: 128OMP_NUM_THREADS: 1 |
Run 192x1 | Number processes: 192Number nodes: 1Number processes per node: 192Run Command: <executable> mdrun -s ion_channel.tpr -nsteps 10000 -pin on -deffnm aoccMPI Command: mpirun -genv I_MPI_FABRICS=shm -n <number_processes>Dataset: Run Directory: .OMP_NUM_THREADS: 1 |
(1x1) Efficiency | (1x1) Potential Speed-Up (%) | (2x1) Efficiency | (2x1) Potential Speed-Up (%) | (4x1) Efficiency | (4x1) Potential Speed-Up (%) | (8x1) Efficiency | (8x1) Potential Speed-Up (%) | (16x1) Efficiency | (16x1) Potential Speed-Up (%) | (32x1) Efficiency | (32x1) Potential Speed-Up (%) | (64x1) Efficiency | (64x1) Potential Speed-Up (%) | (128x1) Efficiency | (128x1) Potential Speed-Up (%) | (192x1) Efficiency | (192x1) Potential Speed-Up (%) |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1 | 0 | 1 | 0 | 0.58 | 0.02 | 0.42 | 0.03 | 0.34 | 0.04 | 0.34 | 0.03 | 0.23 | 0.03 | 0.18 | 0.06 | 0.13 | 0.06 |
Run | Number of threads | Efficiency (ideal is 1) | Speedup | Ideal Speedup | Time (s) | Coverage (%) |
---|---|---|---|---|---|---|
1x1 | 1 | 1 | 1 | 1 | 0.25499996542931 | 0.030590040609241 |
2x1 | 2 | 1 | 2 | 2 | 0.14499998092651 | 0.028128940612078 |
4x1 | 4 | 0.58 | 2.32 | 4 | 0.12499998509884 | 0.044180791825056 |
8x1 | 8 | 0.42 | 3.37 | 8 | 0.094999991357327 | 0.04889577254653 |
16x1 | 16 | 0.34 | 5.38 | 16 | 0.084999993443489 | 0.057310488075018 |
32x1 | 20 | 0.34 | 10.73 | 32 | 0.064999997615814 | 0.046265713870525 |
64x1 | 39 | 0.23 | 14.79 | 64 | 0.054999995976686 | 0.04339325428009 |
128x1 | 82 | 0.18 | 22.42 | 128 | 0.044999998062849 | 0.066914461553097 |
192x1 | 124 | 0.13 | 25.85 | 192 | 0.034999996423721 | 0.073236748576164 |
Name | Coverage (%) | Time (s) |
---|---|---|
▼.omp_outlined.#0xb09d40– | 0.07 | 0.01 |
▼Loop 1428 - mdatoms.cpp:268-438 - libgromacs_mpi.so.9.0.0– | 0.07 | 0.01 |
○Loop 1427 - mtop_lookup.h:93-106 - libgromacs_mpi.so.9.0.0 | 0.00 | 0.01 |