Function: energyDrift(gmx::ArrayRef<VerletbufAtomtype const>, gmx_ffparams_t const*, float, pot_deri ... | Module: libgromacs_mpi.so.9.0.0 | Source: calc_verletbuf.cpp:606-854 [...] | Coverage (incl. loops): 1.77% | (excl. loops): 0.00% |
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Function: energyDrift(gmx::ArrayRef<VerletbufAtomtype const>, gmx_ffparams_t const*, float, pot_deri ... | Module: libgromacs_mpi.so.9.0.0 | Source: calc_verletbuf.cpp:606-854 [...] | Coverage (incl. loops): 1.77% | (excl. loops): 0.00% |
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/usr/lib/gcc/x86_64-redhat-linux/11/../../../../include/c++/11/bits/std_abs.h: 76 - 76 |
-------------------------------------------------------------------------------- |
76: { return __builtin_fabsf(__x); } |
/home/eoseret/gromacs-2024.2/src/gromacs/mdlib/calc_verletbuf.cpp: 606 - 854 |
-------------------------------------------------------------------------------- |
606: 1 / (prop.constraintInvMass() * (1 / prop.invMass() + 1 / prop.constraintInvMass())); |
607: real sigma2_rot = kT_fac * massFraction * prop.invMass(); |
608: |
609: /* The distance from the atom to the COM, i.e. the rotational arm */ |
610: real comDistance = prop.constraintLength() * massFraction; |
611: |
612: /* The variance relative to the arm */ |
613: real sigma2_rel = sigma2_rot / gmx::square(comDistance); |
[...] |
642: sigma2_rel = std::min(sigma2_rel, 1 / std::sqrt(b)); |
643: |
644: /* Compute the approximate sigma^2 for 2D motion due to the rotation */ |
645: *sigma2_2d = |
646: gmx::square(comDistance) * sigma2_rel / (1 + a * sigma2_rel + b * gmx::square(sigma2_rel)); |
647: |
648: /* The constrained atom also moves (in 3D) with the COM of both atoms */ |
649: *sigma2_3d = kT_fac / (1 / prop.invMass() + 1 / prop.constraintInvMass()); |
650: } |
651: |
652: static void get_atom_sigma2(real kT_fac, const AtomNonbondedAndKineticProperties& prop, real* sigma2_2d, real* sigma2_3d) |
653: { |
654: if (prop.hasConstraint()) |
[...] |
663: *sigma2_3d = kT_fac * prop.invMass(); |
[...] |
780: { |
781: double drift_tot = 0; |
782: |
783: if (kT_fac == 0) |
[...] |
791: for (gmx::Index i = 0; i < att.ssize(); i++) |
[...] |
798: for (gmx::Index j = i; j < att.ssize(); j++) |
[...] |
806: real s2 = s2i_2d + s2i_3d + s2j_2d + s2j_3d; |
807: |
808: // Set V, -V', V'' and -V''' at the cut-off for LJ |
809: real c6 = ffp->iparams[propI.type() * ffp->atnr + propJ.type()].lj.c6; |
810: real c12 = ffp->iparams[propI.type() * ffp->atnr + propJ.type()].lj.c12; |
811: pot_derivatives_t lj; |
812: lj.pot = c6 * ljDisp.pot + c12 * ljRep.pot; |
813: lj.md1 = c6 * ljDisp.md1 + c12 * ljRep.md1; |
814: lj.d2 = c6 * ljDisp.d2 + c12 * ljRep.d2; |
815: lj.md3 = c6 * ljDisp.md3 + c12 * ljRep.md3; |
816: |
817: real pot_lj = energyDriftAtomPair( |
818: propI.hasConstraint(), propJ.hasConstraint(), s2, s2i_2d, s2j_2d, rlist - rlj, &lj); |
819: |
820: // Set -V' and V'' at the cut-off for Coulomb |
821: pot_derivatives_t elec_qq; |
822: elec_qq.pot = elec.pot * propI.charge() * propJ.charge(); |
823: elec_qq.md1 = elec.md1 * propI.charge() * propJ.charge(); |
824: elec_qq.d2 = elec.d2 * propI.charge() * propJ.charge(); |
825: elec_qq.md3 = 0; |
826: |
827: real pot_q = energyDriftAtomPair( |
[...] |
835: if (j == i) |
836: { |
837: pot *= static_cast<double>(att[i].n) * (att[i].n - 1) / 2; |
838: } |
839: else |
840: { |
841: pot *= static_cast<double>(att[i].n) * att[j].n; |
842: } |
843: /* We need the line density to get the energy drift of the system. |
844: * The effective average r^2 is close to (rlist+sigma)^2. |
845: */ |
846: pot *= 4 * M_PI * gmx::square(rlist + std::sqrt(s2)) * effectiveAtomDensity / totNumAtoms; |
847: |
848: /* Add the unsigned drift to avoid cancellation of errors */ |
849: drift_tot += std::abs(pot); |
850: } |
851: } |
852: |
853: return drift_tot; |
854: } |
/home/eoseret/gromacs-2024.2/api/legacy/include/gromacs/math/functions.h: 321 - 321 |
-------------------------------------------------------------------------------- |
321: return x * x; |
/home/eoseret/gromacs-2024.2/src/gromacs/mdlib/calc_verletbuf.h: 263 - 291 |
-------------------------------------------------------------------------------- |
263: real invMass() const { return invMassScale_ * invMass_; } |
264: |
265: // Returns the atom type |
266: int type() const { return type_; } |
267: |
268: // Returns the charge |
269: real charge() const { return chargeScale_ * charge_; } |
[...] |
284: return c_massRatioThreshold * constraintInvMass_ < invMass_; |
285: } |
286: |
287: // Returns 1/mass for the atom connected by a constraint with the largest mass |
288: real constraintInvMass() const { return invMassScale_ * constraintInvMass_; } |
289: |
290: // Returns the length of the constraint to the atom with the largest mass |
291: real constraintLength() const { return constraintLengthScale_ * constraintLength_; } |
/usr/lib/gcc/x86_64-redhat-linux/11/../../../../include/c++/11/bits/stl_vector.h: 1064 - 1064 |
-------------------------------------------------------------------------------- |
1064: return *(this->_M_impl._M_start + __n); |
/home/eoseret/gromacs-2024.2/api/legacy/include/gromacs/utility/arrayref.h: 82 - 82 |
-------------------------------------------------------------------------------- |
82: it_ += i; |
0xac8ec0 VMOVAPS %XMM0,%XMM7 |
0xac8ec4 VXORPS %XMM0,%XMM0,%XMM0 |
0xac8ec8 VUCOMISS %XMM0,%XMM7 |
0xac8ecc JNE ac8ed1 |
0xac8ece JP ac8ed1 |
0xac8ed0 RET |
0xac8ed1 PUSH %RBP |
0xac8ed2 MOV %RSP,%RBP |
0xac8ed5 PUSH %R15 |
0xac8ed7 PUSH %R14 |
0xac8ed9 PUSH %R13 |
0xac8edb PUSH %R12 |
0xac8edd PUSH %RBX |
0xac8ede SUB $0xb8,%RSP |
0xac8ee5 MOV %RSI,%R14 |
0xac8ee8 SUB %RDI,%R14 |
0xac8eeb TEST %R14,%R14 |
0xac8eee JLE ac96c6 |
0xac8ef4 MOV %R9,%RBX |
0xac8ef7 MOV %RCX,%R9 |
0xac8efa MOV %RDX,%R12 |
0xac8efd SAR $0x5,%R14 |
0xac8f01 VSUBSS %XMM1,%XMM3,%XMM0 |
0xac8f05 VMOVSS %XMM0,-0x58(%RBP) |
0xac8f0a VSUBSS %XMM2,%XMM3,%XMM0 |
0xac8f0e VMOVSS %XMM0,-0x54(%RBP) |
0xac8f13 VCVTSS2SD %XMM4,%XMM4,%XMM0 |
0xac8f17 VMOVSD %XMM0,-0x98(%RBP) |
0xac8f1f VCVTSI2SDL 0x10(%RBP),%XMM5,%XMM0 |
0xac8f24 VMOVSD %XMM0,-0x90(%RBP) |
0xac8f2c CMP $0x2,%R14 |
0xac8f30 MOV $0x1,%EAX |
0xac8f35 CMOVGE %R14,%RAX |
0xac8f39 MOV %RAX,-0xc8(%RBP) |
0xac8f40 LEA 0x20(%RDI),%R13 |
0xac8f44 MOV %R14,%RAX |
0xac8f47 NEG %RAX |
0xac8f4a MOV %RAX,-0xa8(%RBP) |
0xac8f51 VXORPS %XMM5,%XMM5,%XMM5 |
0xac8f55 XOR %EAX,%EAX |
0xac8f57 VMOVSS %XMM3,-0x3c(%RBP) |
0xac8f5c VMOVSS %XMM7,-0x38(%RBP) |
0xac8f61 MOV %R14,-0xd8(%RBP) |
0xac8f68 MOV %RDI,-0xd0(%RBP) |
0xac8f6f MOV %R8,-0x68(%RBP) |
0xac8f73 MOV %RCX,-0x60(%RBP) |
0xac8f77 JMP ac8fb4 |
0xac8f79 NOPL (%RAX) |
(14220) 0xac8f80 MOV -0x70(%RBP),%RAX |
(14220) 0xac8f84 INC %RAX |
(14220) 0xac8f87 MOV -0xe0(%RBP),%R13 |
(14220) 0xac8f8e ADD $0x20,%R13 |
(14220) 0xac8f92 INCQ -0xa8(%RBP) |
(14220) 0xac8f99 CMP -0xc8(%RBP),%RAX |
(14220) 0xac8fa0 MOV -0xd8(%RBP),%R14 |
(14220) 0xac8fa7 MOV -0xd0(%RBP),%RDI |
(14220) 0xac8fae JE ac96ca |
(14220) 0xac8fb4 MOV %RAX,-0x70(%RBP) |
(14220) 0xac8fb8 SAL $0x5,%RAX |
(14220) 0xac8fbc LEA (%RDI,%RAX,1),%R15 |
(14220) 0xac8fc0 MOVSX 0xa(%RDI,%RAX,1),%ECX |
(14220) 0xac8fc5 VCVTSI2SS %ECX,%XMM6,%XMM0 |
(14220) 0xac8fc9 VMULSS -0x76c915(%RIP),%XMM0,%XMM2 |
(14220) 0xac8fd1 MOVSX (%RDI,%RAX,1),%ECX |
(14220) 0xac8fd5 VCVTSI2SS %ECX,%XMM6,%XMM1 |
(14220) 0xac8fd9 VUCOMISS %XMM2,%XMM1 |
(14220) 0xac8fdd VMOVSS 0x10(%RDI,%RAX,1),%XMM2 |
(14220) 0xac8fe3 JBE ac9080 |
(14220) 0xac8fe9 VMULSS %XMM0,%XMM2,%XMM0 |
(14220) 0xac8fed VMULSS %XMM1,%XMM2,%XMM1 |
(14220) 0xac8ff1 VMOVSS -0x76ce6d(%RIP),%XMM4 |
(14220) 0xac8ff9 VDIVSS %XMM1,%XMM4,%XMM2 |
(14220) 0xac8ffd VDIVSS %XMM0,%XMM4,%XMM3 |
(14220) 0xac9001 VADDSS %XMM2,%XMM3,%XMM2 |
(14220) 0xac9005 VMULSS %XMM2,%XMM0,%XMM0 |
(14220) 0xac9009 VDIVSS %XMM0,%XMM4,%XMM0 |
(14220) 0xac900d VMULSS %XMM7,%XMM0,%XMM3 |
(14220) 0xac9011 VMULSS %XMM3,%XMM1,%XMM1 |
(14220) 0xac9015 MOVSX 0xc(%R15),%ECX |
(14220) 0xac901a VCVTSI2SS %ECX,%XMM6,%XMM3 |
(14220) 0xac901e VMULSS 0x18(%R15),%XMM3,%XMM3 |
(14220) 0xac9024 VMULSS %XMM0,%XMM3,%XMM0 |
(14220) 0xac9028 VMULSS %XMM0,%XMM0,%XMM0 |
(14220) 0xac902c VDIVSS %XMM0,%XMM1,%XMM1 |
(14220) 0xac9030 VMOVSS -0x76cb9c(%RIP),%XMM3 |
(14220) 0xac9038 VMINSS %XMM1,%XMM3,%XMM1 |
(14220) 0xac903c VMULSS %XMM1,%XMM0,%XMM0 |
(14220) 0xac9040 VMOVAPS %XMM4,%XMM3 |
(14220) 0xac9044 VFMADD231SS -0x76ce21(%RIP),%XMM1,%XMM3 |
(14220) 0xac904d VMULSS %XMM1,%XMM1,%XMM1 |
(14220) 0xac9051 VFMADD132SS -0x76c83a(%RIP),%XMM3,%XMM1 |
(14220) 0xac905a VDIVSS %XMM1,%XMM0,%XMM0 |
(14220) 0xac905e VMOVSS %XMM0,-0x30(%RBP) |
(14220) 0xac9063 VDIVSS %XMM2,%XMM7,%XMM0 |
(14220) 0xac9067 CMP %R14,-0x70(%RBP) |
(14220) 0xac906b MOV %R13,-0xe0(%RBP) |
(14220) 0xac9072 JGE ac8f80 |
(14220) 0xac9078 JMP ac90a2 |
0xac907a NOPW (%RAX,%RAX,1) |
(14220) 0xac9080 VMULSS %XMM1,%XMM2,%XMM0 |
(14220) 0xac9084 VMULSS %XMM7,%XMM0,%XMM0 |
(14220) 0xac9088 VXORPS %XMM1,%XMM1,%XMM1 |
(14220) 0xac908c VMOVSS %XMM1,-0x30(%RBP) |
(14220) 0xac9091 CMP %R14,-0x70(%RBP) |
(14220) 0xac9095 MOV %R13,-0xe0(%RBP) |
(14220) 0xac909c JGE ac8f80 |
(14220) 0xac90a2 MOVSX 0xa(%RDI,%RAX,1),%ECX |
(14220) 0xac90a7 VCVTSI2SS %ECX,%XMM6,%XMM3 |
(14220) 0xac90ab VMULSS -0x76c9f7(%RIP),%XMM3,%XMM1 |
(14220) 0xac90b3 MOVSX (%RDI,%RAX,1),%ECX |
(14220) 0xac90b7 VCVTSI2SS %ECX,%XMM6,%XMM9 |
(14220) 0xac90bb VUCOMISS %XMM1,%XMM9 |
(14220) 0xac90bf VMOVSS 0x10(%RDI,%RAX,1),%XMM4 |
(14220) 0xac90c5 VMOVSD %XMM5,-0x50(%RBP) |
(14220) 0xac90ca JBE ac9150 |
(14220) 0xac90d0 VMULSS %XMM3,%XMM4,%XMM3 |
(14220) 0xac90d4 VMULSS %XMM4,%XMM9,%XMM4 |
(14220) 0xac90d8 VMOVSS -0x76cf54(%RIP),%XMM8 |
(14220) 0xac90e0 VDIVSS %XMM4,%XMM8,%XMM5 |
(14220) 0xac90e4 VDIVSS %XMM3,%XMM8,%XMM6 |
(14220) 0xac90e8 VADDSS %XMM5,%XMM6,%XMM5 |
(14220) 0xac90ec VMULSS %XMM5,%XMM3,%XMM3 |
(14220) 0xac90f0 VDIVSS %XMM3,%XMM8,%XMM3 |
(14220) 0xac90f4 VMULSS %XMM7,%XMM3,%XMM6 |
(14220) 0xac90f8 VMULSS %XMM6,%XMM4,%XMM4 |
(14220) 0xac90fc MOVSX 0xc(%R15),%ECX |
(14220) 0xac9101 VCVTSI2SS %ECX,%XMM10,%XMM6 |
(14220) 0xac9105 VMULSS 0x18(%R15),%XMM6,%XMM6 |
(14220) 0xac910b VMULSS %XMM3,%XMM6,%XMM3 |
(14220) 0xac910f VMULSS %XMM3,%XMM3,%XMM3 |
(14220) 0xac9113 VDIVSS %XMM3,%XMM4,%XMM4 |
(14220) 0xac9117 VMOVSS -0x76cc83(%RIP),%XMM6 |
(14220) 0xac911f VMINSS %XMM4,%XMM6,%XMM4 |
(14220) 0xac9123 VMULSS %XMM4,%XMM3,%XMM3 |
(14220) 0xac9127 VMOVAPS %XMM8,%XMM6 |
(14220) 0xac912b VFMADD231SS -0x76cf08(%RIP),%XMM4,%XMM6 |
(14220) 0xac9134 VMULSS %XMM4,%XMM4,%XMM4 |
(14220) 0xac9138 VFMADD132SS -0x76c921(%RIP),%XMM6,%XMM4 |
(14220) 0xac9141 VDIVSS %XMM4,%XMM3,%XMM2 |
(14220) 0xac9145 VDIVSS %XMM5,%XMM7,%XMM3 |
(14220) 0xac9149 JMP ac915c |
0xac914b NOPL (%RAX,%RAX,1) |
(14220) 0xac9150 VMULSS %XMM4,%XMM9,%XMM3 |
(14220) 0xac9154 VMULSS %XMM7,%XMM3,%XMM3 |
(14220) 0xac9158 VXORPS %XMM2,%XMM2,%XMM2 |
(14220) 0xac915c VMOVSS %XMM2,-0x48(%RBP) |
(14220) 0xac9161 VMOVSS -0x30(%RBP),%XMM5 |
(14220) 0xac9166 VADDSS %XMM0,%XMM5,%XMM4 |
(14220) 0xac916a VMOVSS %XMM5,-0x30(%RBP) |
(14220) 0xac916f XOR %ESI,%ESI |
(14220) 0xac9171 VUCOMISS %XMM1,%XMM9 |
(14220) 0xac9175 SETA %SIL |
(14220) 0xac9179 MOVSXD 0x4(%R15),%RCX |
(14220) 0xac917d MOVSXD (%R12),%RDX |
(14220) 0xac9181 IMUL %RCX,%RDX |
(14220) 0xac9185 MOVSXD 0x4(%R15),%RCX |
(14220) 0xac9189 ADD %RDX,%RCX |
(14220) 0xac918c MOV 0x20(%R12),%RDX |
(14220) 0xac9191 LEA (%RCX,%RCX,2),%RCX |
(14220) 0xac9195 SAL $0x4,%RCX |
(14220) 0xac9199 VBROADCASTSS 0x4(%RDX,%RCX,1),%XMM0 |
(14220) 0xac91a0 VBROADCASTSS (%RDX,%RCX,1),%XMM1 |
(14220) 0xac91a6 VMULPS (%R8),%XMM0,%XMM0 |
(14220) 0xac91ab ADD %RDI,%RAX |
(14220) 0xac91ae ADD $0x1c,%RAX |
(14220) 0xac91b2 MOV %RAX,-0xa0(%RBP) |
(14220) 0xac91b9 VFMADD231PS (%R9),%XMM1,%XMM0 |
(14220) 0xac91be VMOVSS %XMM4,-0x84(%RBP) |
(14220) 0xac91c6 VADDSS %XMM2,%XMM4,%XMM1 |
(14220) 0xac91ca VMOVAPS %XMM0,-0xc0(%RBP) |
(14220) 0xac91d2 VADDSS %XMM3,%XMM1,%XMM0 |
(14220) 0xac91d6 VMOVSS %XMM0,-0x2c(%RBP) |
(14220) 0xac91db MOVSX 0xa(%R15),%EAX |
(14220) 0xac91e0 VCVTSI2SS %EAX,%XMM10,%XMM3 |
(14220) 0xac91e4 VMOVSS -0x76cb30(%RIP),%XMM1 |
(14220) 0xac91ec VMULSS %XMM1,%XMM3,%XMM3 |
(14220) 0xac91f0 MOVSX (%R15),%EAX |
(14220) 0xac91f4 VCVTSI2SS %EAX,%XMM10,%XMM1 |
(14220) 0xac91f8 XOR %EDI,%EDI |
(14220) 0xac91fa VUCOMISS %XMM3,%XMM1 |
(14220) 0xac91fe SETA %DIL |
(14220) 0xac9202 VMOVAPS %XMM5,%XMM1 |
(14220) 0xac9206 VMOVSS -0x58(%RBP),%XMM3 |
(14220) 0xac920b LEA -0xc0(%RBP),%RDX |
(14220) 0xac9212 CALL ac9c70 <_ZL19energyDriftAtomPairbbffffPK17pot_derivatives_t> |
(14220) 0xac9217 MOVSX 0x8(%R15),%EAX |
(14220) 0xac921c VCVTSI2SS %EAX,%XMM10,%XMM1 |
(14220) 0xac9220 VMULSS 0x14(%R15),%XMM1,%XMM1 |
(14220) 0xac9226 MOVSX 0x8(%R15),%EAX |
(14220) 0xac922b VCVTSI2SS %EAX,%XMM10,%XMM2 |
(14220) 0xac922f VMULSS 0x14(%R15),%XMM2,%XMM2 |
(14220) 0xac9235 VMOVSD (%RBX),%XMM3 |
(14220) 0xac9239 VBROADCASTSS %XMM1,%XMM4 |
(14220) 0xac923e VMULPS %XMM4,%XMM3,%XMM3 |
(14220) 0xac9242 VBROADCASTSS %XMM2,%XMM4 |
(14220) 0xac9247 VMULPS %XMM3,%XMM4,%XMM3 |
(14220) 0xac924b VMOVLPS %XMM3,-0x80(%RBP) |
(14220) 0xac9250 VMULSS 0x8(%RBX),%XMM1,%XMM1 |
(14220) 0xac9255 VMULSS %XMM1,%XMM2,%XMM1 |
(14220) 0xac9259 VMOVSS %XMM1,-0x78(%RBP) |
(14220) 0xac925e MOVL $0,-0x74(%RBP) |
(14220) 0xac9265 MOVSX 0xa(%R15),%EAX |
(14220) 0xac926a VCVTSI2SS %EAX,%XMM10,%XMM1 |
(14220) 0xac926e VMOVSS -0x76cbba(%RIP),%XMM3 |
(14220) 0xac9276 VMULSS %XMM3,%XMM1,%XMM1 |
(14220) 0xac927a MOVSX (%R15),%EAX |
(14220) 0xac927e VCVTSI2SS %EAX,%XMM10,%XMM2 |
(14220) 0xac9282 XOR %EDI,%EDI |
(14220) 0xac9284 VUCOMISS %XMM1,%XMM2 |
(14220) 0xac9288 SETA %DIL |
(14220) 0xac928c MOVSX 0xa(%R15),%EAX |
(14220) 0xac9291 VCVTSI2SS %EAX,%XMM10,%XMM1 |
(14220) 0xac9295 VMOVSS %XMM0,-0x34(%RBP) |
(14220) 0xac929a VMULSS %XMM3,%XMM1,%XMM0 |
(14220) 0xac929e XOR %ESI,%ESI |
(14220) 0xac92a0 VUCOMISS %XMM0,%XMM2 |
(14220) 0xac92a4 SETA %SIL |
(14220) 0xac92a8 VMOVSS -0x2c(%RBP),%XMM0 |
(14220) 0xac92ad VMOVSS -0x30(%RBP),%XMM1 |
(14220) 0xac92b2 VMOVSS -0x48(%RBP),%XMM2 |
(14220) 0xac92b7 VMOVSS -0x54(%RBP),%XMM3 |
(14220) 0xac92bc LEA -0x80(%RBP),%RDX |
(14220) 0xac92c0 CALL ac9c70 <_ZL19energyDriftAtomPairbbffffPK17pot_derivatives_t> |
(14220) 0xac92c5 VMOVAPD %XMM0,%XMM3 |
(14220) 0xac92c9 MOV -0xa0(%RBP),%RAX |
(14220) 0xac92d0 MOV (%RAX),%EAX |
(14220) 0xac92d2 VCVTSI2SD %EAX,%XMM7,%XMM0 |
(14220) 0xac92d6 DEC %EAX |
(14220) 0xac92d8 VCVTSI2SD %EAX,%XMM7,%XMM1 |
(14220) 0xac92dc VMULSD %XMM1,%XMM0,%XMM0 |
(14220) 0xac92e0 VMULSD -0x76c188(%RIP),%XMM0,%XMM4 |
(14220) 0xac92e8 VMOVSS -0x2c(%RBP),%XMM0 |
(14220) 0xac92ed VUCOMISS -0x76cf89(%RIP),%XMM0 |
(14220) 0xac92f5 JB ac9300 |
(14220) 0xac92f7 VSQRTSS %XMM0,%XMM0,%XMM0 |
(14220) 0xac92fb JMP ac9319 |
0xac92fd NOPL (%RAX) |
(14220) 0xac9300 VMOVSS %XMM3,-0x2c(%RBP) |
(14220) 0xac9305 VMOVSD %XMM4,-0x48(%RBP) |
(14220) 0xac930a CALL fa66c0 <@plt_start@+0x3210> |
(14220) 0xac930f VMOVSD -0x48(%RBP),%XMM4 |
(14220) 0xac9314 VMOVSS -0x2c(%RBP),%XMM3 |
(14220) 0xac9319 VMOVSS -0x3c(%RBP),%XMM2 |
(14220) 0xac931e MOV -0x68(%RBP),%R8 |
(14220) 0xac9322 MOV -0x60(%RBP),%R9 |
(14220) 0xac9326 VMOVSS -0x38(%RBP),%XMM7 |
(14220) 0xac932b VMOVSD -0x50(%RBP),%XMM5 |
(14220) 0xac9330 VMOVSS -0x34(%RBP),%XMM1 |
(14220) 0xac9335 VADDSS %XMM3,%XMM1,%XMM1 |
(14220) 0xac9339 VCVTSS2SD %XMM1,%XMM1,%XMM1 |
(14220) 0xac933d VMULSD %XMM1,%XMM4,%XMM1 |
(14220) 0xac9341 VCVTSD2SS %XMM1,%XMM1,%XMM1 |
(14220) 0xac9345 VADDSS %XMM2,%XMM0,%XMM0 |
(14220) 0xac9349 VMULSS %XMM0,%XMM0,%XMM0 |
(14220) 0xac934d VCVTSS2SD %XMM0,%XMM0,%XMM0 |
(14220) 0xac9351 VMULSD -0x76ba81(%RIP),%XMM0,%XMM0 |
(14220) 0xac9359 VMULSD -0x98(%RBP),%XMM0,%XMM0 |
(14220) 0xac9361 VCVTSS2SD %XMM1,%XMM1,%XMM1 |
(14220) 0xac9365 VDIVSD -0x90(%RBP),%XMM0,%XMM0 |
(14220) 0xac936d VMULSD %XMM1,%XMM0,%XMM0 |
(14220) 0xac9371 VCVTSD2SS %XMM0,%XMM0,%XMM0 |
(14220) 0xac9375 VANDPS -0x76cfbb(%RIP){1to4},%XMM0,%XMM0 |
(14220) 0xac937f VCVTSS2SD %XMM0,%XMM0,%XMM0 |
(14220) 0xac9383 VADDSD %XMM0,%XMM5,%XMM5 |
(14220) 0xac9387 MOV -0x70(%RBP),%RAX |
(14220) 0xac938b INC %RAX |
(14220) 0xac938e CMP %R14,%RAX |
(14220) 0xac9391 JE ac8f80 |
(14220) 0xac9397 MOV $-0x1,%R14 |
(14220) 0xac939e JMP ac9448 |
0xac93a3 NOPW %CS:(%RAX,%RAX,1) |
(14221) 0xac93b0 VMOVSS %XMM3,-0x2c(%RBP) |
(14221) 0xac93b5 VMOVSD %XMM4,-0x48(%RBP) |
(14221) 0xac93ba CALL fa66c0 <@plt_start@+0x3210> |
(14221) 0xac93bf VMOVSD -0x48(%RBP),%XMM4 |
(14221) 0xac93c4 VMOVSS -0x2c(%RBP),%XMM3 |
(14221) 0xac93c9 VMOVSS -0x3c(%RBP),%XMM2 |
(14221) 0xac93ce MOV -0x68(%RBP),%R8 |
(14221) 0xac93d2 MOV -0x60(%RBP),%R9 |
(14221) 0xac93d6 VMOVSS -0x38(%RBP),%XMM7 |
(14221) 0xac93db VMOVSD -0x50(%RBP),%XMM5 |
(14221) 0xac93e0 VMOVSS -0x34(%RBP),%XMM1 |
(14221) 0xac93e5 VADDSS %XMM3,%XMM1,%XMM1 |
(14221) 0xac93e9 VCVTSS2SD %XMM1,%XMM1,%XMM1 |
(14221) 0xac93ed VMULSD %XMM1,%XMM4,%XMM1 |
(14221) 0xac93f1 VCVTSD2SS %XMM1,%XMM1,%XMM1 |
(14221) 0xac93f5 VADDSS %XMM2,%XMM0,%XMM0 |
(14221) 0xac93f9 VMULSS %XMM0,%XMM0,%XMM0 |
(14221) 0xac93fd VCVTSS2SD %XMM0,%XMM0,%XMM0 |
(14221) 0xac9401 VMULSD -0x76bb31(%RIP),%XMM0,%XMM0 |
(14221) 0xac9409 VMULSD -0x98(%RBP),%XMM0,%XMM0 |
(14221) 0xac9411 VCVTSS2SD %XMM1,%XMM1,%XMM1 |
(14221) 0xac9415 VDIVSD -0x90(%RBP),%XMM0,%XMM0 |
(14221) 0xac941d VMULSD %XMM1,%XMM0,%XMM0 |
(14221) 0xac9421 VCVTSD2SS %XMM0,%XMM0,%XMM0 |
(14221) 0xac9425 VANDPS -0x76d06b(%RIP){1to4},%XMM0,%XMM0 |
(14221) 0xac942f VCVTSS2SD %XMM0,%XMM0,%XMM0 |
(14221) 0xac9433 VADDSD %XMM0,%XMM5,%XMM5 |
(14221) 0xac9437 ADD $0x20,%R13 |
(14221) 0xac943b CMP %R14,-0xa8(%RBP) |
(14221) 0xac9442 JE ac8f80 |
(14221) 0xac9448 MOVSX 0xa(%R13),%EAX |
(14221) 0xac944d VCVTSI2SS %EAX,%XMM8,%XMM2 |
(14221) 0xac9451 VMULSS -0x76cd9d(%RIP),%XMM2,%XMM0 |
(14221) 0xac9459 MOVSX (%R13),%EAX |
(14221) 0xac945e VCVTSI2SS %EAX,%XMM8,%XMM1 |
(14221) 0xac9462 VUCOMISS %XMM0,%XMM1 |
(14221) 0xac9466 VMOVSS 0x10(%R13),%XMM3 |
(14221) 0xac946c VMOVSD %XMM5,-0x50(%RBP) |
(14221) 0xac9471 JBE ac9500 |
(14221) 0xac9477 VMULSS %XMM2,%XMM3,%XMM2 |
(14221) 0xac947b VMULSS %XMM1,%XMM3,%XMM3 |
(14221) 0xac947f VMOVSS -0x76d2fb(%RIP),%XMM6 |
(14221) 0xac9487 VDIVSS %XMM3,%XMM6,%XMM4 |
(14221) 0xac948b VDIVSS %XMM2,%XMM6,%XMM5 |
(14221) 0xac948f VADDSS %XMM4,%XMM5,%XMM4 |
(14221) 0xac9493 VMULSS %XMM4,%XMM2,%XMM2 |
(14221) 0xac9497 VDIVSS %XMM2,%XMM6,%XMM2 |
(14221) 0xac949b VMULSS %XMM7,%XMM2,%XMM5 |
(14221) 0xac949f VMULSS %XMM5,%XMM3,%XMM3 |
(14221) 0xac94a3 MOVSX 0xc(%R13),%EAX |
(14221) 0xac94a8 VCVTSI2SS %EAX,%XMM8,%XMM5 |
(14221) 0xac94ac VMULSS 0x18(%R13),%XMM5,%XMM5 |
(14221) 0xac94b2 VMULSS %XMM2,%XMM5,%XMM2 |
(14221) 0xac94b6 VMULSS %XMM2,%XMM2,%XMM2 |
(14221) 0xac94ba VDIVSS %XMM2,%XMM3,%XMM3 |
(14221) 0xac94be VMOVSS -0x76d02a(%RIP),%XMM5 |
(14221) 0xac94c6 VMINSS %XMM3,%XMM5,%XMM3 |
(14221) 0xac94ca VMULSS %XMM3,%XMM2,%XMM2 |
(14221) 0xac94ce VMOVAPS %XMM6,%XMM5 |
(14221) 0xac94d2 VFMADD231SS -0x76d2af(%RIP),%XMM3,%XMM5 |
(14221) 0xac94db VMULSS %XMM3,%XMM3,%XMM3 |
(14221) 0xac94df VFMADD132SS -0x76ccc8(%RIP),%XMM5,%XMM3 |
(14221) 0xac94e8 VDIVSS %XMM3,%XMM2,%XMM2 |
(14221) 0xac94ec VDIVSS %XMM4,%XMM7,%XMM3 |
(14221) 0xac94f0 JMP ac950c |
0xac94f2 NOPW %CS:(%RAX,%RAX,1) |
(14221) 0xac9500 VMULSS %XMM1,%XMM3,%XMM2 |
(14221) 0xac9504 VMULSS %XMM7,%XMM2,%XMM3 |
(14221) 0xac9508 VXORPS %XMM2,%XMM2,%XMM2 |
(14221) 0xac950c VMOVSS %XMM2,-0x48(%RBP) |
(14221) 0xac9511 XOR %ESI,%ESI |
(14221) 0xac9513 VUCOMISS %XMM0,%XMM1 |
(14221) 0xac9517 SETA %SIL |
(14221) 0xac951b MOVSXD 0x4(%R15),%RAX |
(14221) 0xac951f MOVSXD (%R12),%RCX |
(14221) 0xac9523 IMUL %RAX,%RCX |
(14221) 0xac9527 MOVSXD 0x4(%R13),%RAX |
(14221) 0xac952b ADD %RCX,%RAX |
(14221) 0xac952e MOV 0x20(%R12),%RCX |
(14221) 0xac9533 LEA (%RAX,%RAX,2),%RAX |
(14221) 0xac9537 SAL $0x4,%RAX |
(14221) 0xac953b VBROADCASTSS 0x4(%RCX,%RAX,1),%XMM0 |
(14221) 0xac9542 VBROADCASTSS (%RCX,%RAX,1),%XMM1 |
(14221) 0xac9548 VMULPS (%R8),%XMM0,%XMM0 |
(14221) 0xac954d VFMADD231PS (%R9),%XMM1,%XMM0 |
(14221) 0xac9552 VADDSS -0x84(%RBP),%XMM2,%XMM1 |
(14221) 0xac955a VMOVAPS %XMM0,-0xc0(%RBP) |
(14221) 0xac9562 VADDSS %XMM3,%XMM1,%XMM0 |
(14221) 0xac9566 VMOVSS %XMM0,-0x2c(%RBP) |
(14221) 0xac956b MOVSX 0xa(%R15),%EAX |
(14221) 0xac9570 VCVTSI2SS %EAX,%XMM8,%XMM3 |
(14221) 0xac9574 VMOVSS -0x76cec0(%RIP),%XMM1 |
(14221) 0xac957c VMULSS %XMM1,%XMM3,%XMM3 |
(14221) 0xac9580 MOVSX (%R15),%EAX |
(14221) 0xac9584 VCVTSI2SS %EAX,%XMM8,%XMM1 |
(14221) 0xac9588 XOR %EDI,%EDI |
(14221) 0xac958a VUCOMISS %XMM3,%XMM1 |
(14221) 0xac958e SETA %DIL |
(14221) 0xac9592 VMOVSS -0x30(%RBP),%XMM1 |
(14221) 0xac9597 VMOVSS -0x58(%RBP),%XMM3 |
(14221) 0xac959c LEA -0xc0(%RBP),%RDX |
(14221) 0xac95a3 CALL ac9c70 <_ZL19energyDriftAtomPairbbffffPK17pot_derivatives_t> |
(14221) 0xac95a8 MOVSX 0x8(%R15),%EAX |
(14221) 0xac95ad VCVTSI2SS %EAX,%XMM8,%XMM1 |
(14221) 0xac95b1 VMULSS 0x14(%R15),%XMM1,%XMM1 |
(14221) 0xac95b7 MOVSX 0x8(%R13),%EAX |
(14221) 0xac95bc VCVTSI2SS %EAX,%XMM8,%XMM2 |
(14221) 0xac95c0 VMULSS 0x14(%R13),%XMM2,%XMM2 |
(14221) 0xac95c6 VMOVSD (%RBX),%XMM3 |
(14221) 0xac95ca VBROADCASTSS %XMM1,%XMM4 |
(14221) 0xac95cf VMULPS %XMM4,%XMM3,%XMM3 |
(14221) 0xac95d3 VBROADCASTSS %XMM2,%XMM4 |
(14221) 0xac95d8 VMULPS %XMM3,%XMM4,%XMM3 |
(14221) 0xac95dc VMOVLPS %XMM3,-0x80(%RBP) |
(14221) 0xac95e1 VMULSS 0x8(%RBX),%XMM1,%XMM1 |
(14221) 0xac95e6 VMULSS %XMM1,%XMM2,%XMM1 |
(14221) 0xac95ea VMOVSS %XMM1,-0x78(%RBP) |
(14221) 0xac95ef MOVL $0,-0x74(%RBP) |
(14221) 0xac95f6 MOVSX 0xa(%R15),%EAX |
(14221) 0xac95fb VCVTSI2SS %EAX,%XMM8,%XMM1 |
(14221) 0xac95ff VMOVSS -0x76cf4b(%RIP),%XMM3 |
(14221) 0xac9607 VMULSS %XMM3,%XMM1,%XMM1 |
(14221) 0xac960b MOVSX (%R15),%EAX |
(14221) 0xac960f VCVTSI2SS %EAX,%XMM8,%XMM2 |
(14221) 0xac9613 XOR %EDI,%EDI |
(14221) 0xac9615 VUCOMISS %XMM1,%XMM2 |
(14221) 0xac9619 SETA %DIL |
(14221) 0xac961d VMOVSS %XMM0,-0x34(%RBP) |
(14221) 0xac9622 MOVSX 0xa(%R13),%EAX |
(14221) 0xac9627 VCVTSI2SS %EAX,%XMM8,%XMM0 |
(14221) 0xac962b VMULSS %XMM3,%XMM0,%XMM0 |
(14221) 0xac962f MOVSX (%R13),%EAX |
(14221) 0xac9634 VCVTSI2SS %EAX,%XMM8,%XMM1 |
(14221) 0xac9638 XOR %ESI,%ESI |
(14221) 0xac963a VUCOMISS %XMM0,%XMM1 |
(14221) 0xac963e SETA %SIL |
(14221) 0xac9642 VMOVSS -0x2c(%RBP),%XMM0 |
(14221) 0xac9647 VMOVSS -0x30(%RBP),%XMM1 |
(14221) 0xac964c VMOVSS -0x48(%RBP),%XMM2 |
(14221) 0xac9651 VMOVSS -0x54(%RBP),%XMM3 |
(14221) 0xac9656 LEA -0x80(%RBP),%RDX |
(14221) 0xac965a CALL ac9c70 <_ZL19energyDriftAtomPairbbffffPK17pot_derivatives_t> |
(14221) 0xac965f VMOVAPD %XMM0,%XMM3 |
(14221) 0xac9663 MOV -0xa0(%RBP),%RAX |
(14221) 0xac966a MOV (%RAX),%EAX |
(14221) 0xac966c VCVTSI2SD %EAX,%XMM8,%XMM0 |
(14221) 0xac9670 SUB $0x1,%R14 |
(14221) 0xac9674 JAE ac96a0 |
(14221) 0xac9676 DEC %EAX |
(14221) 0xac9678 VCVTSI2SD %EAX,%XMM8,%XMM1 |
(14221) 0xac967c VMULSD %XMM1,%XMM0,%XMM0 |
(14221) 0xac9680 VMULSD -0x76c528(%RIP),%XMM0,%XMM4 |
(14221) 0xac9688 VMOVSS -0x2c(%RBP),%XMM0 |
(14221) 0xac968d VUCOMISS -0x76d329(%RIP),%XMM0 |
(14221) 0xac9695 JB ac93b0 |
(14221) 0xac969b JMP ac96bd |
0xac969d NOPL (%RAX) |
(14221) 0xac96a0 VCVTSI2SDL 0x1c(%R13),%XMM8,%XMM1 |
(14221) 0xac96a6 VMULSD %XMM1,%XMM0,%XMM4 |
(14221) 0xac96aa VMOVSS -0x2c(%RBP),%XMM0 |
(14221) 0xac96af VUCOMISS -0x76d34b(%RIP),%XMM0 |
(14221) 0xac96b7 JB ac93b0 |
(14221) 0xac96bd VSQRTSS %XMM0,%XMM0,%XMM0 |
(14221) 0xac96c1 JMP ac93c9 |
0xac96c6 VXORPS %XMM5,%XMM5,%XMM5 |
0xac96ca VCVTSD2SS %XMM5,%XMM5,%XMM0 |
0xac96ce ADD $0xb8,%RSP |
0xac96d5 POP %RBX |
0xac96d6 POP %R12 |
0xac96d8 POP %R13 |
0xac96da POP %R14 |
0xac96dc POP %R15 |
0xac96de POP %RBP |
0xac96df RET |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►50.94+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | 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 | |
►15.09+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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 | |
►15.09+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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 | |
►3.77+ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | 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 | |
►3.77+ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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 | |
►3.77+ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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 | |
►1.89+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:573 | 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 | |
►1.89+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:284 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | 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 | |
►1.89+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | verletBufferPressureError(gmx_[...] | calc_verletbuf.cpp:1537 | libgromacs_mpi.so.9.0.0 |
○ | printNbnxmPressureError(gmx::M[...] | pairlist_tuning.cpp:795 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:436 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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 | |
►1.89+ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:757 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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 |
---|---|---|---|
►48.18+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | 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 | |
►19.09+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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 | |
►10.00+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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 | |
►7.27+ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | 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 | |
►6.36+ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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 | |
►2.73+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:284 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | 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 | |
►2.73+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | verletBufferPressureError(gmx_[...] | calc_verletbuf.cpp:1537 | libgromacs_mpi.so.9.0.0 |
○ | printNbnxmPressureError(gmx::M[...] | pairlist_tuning.cpp:795 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:436 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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 |
---|---|---|---|
►42.59+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | 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 | |
►18.06+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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 | |
►12.50+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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 | |
►5.56+ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | 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 | |
►5.56+ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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 | |
►3.24+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:573 | 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 | |
►2.78+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:757 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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 | |
►2.31+ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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 | |
►2.31+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:284 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | 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 | |
►1.85+ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:757 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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 | |
►1.39+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | verletBufferPressureError(gmx_[...] | calc_verletbuf.cpp:1537 | libgromacs_mpi.so.9.0.0 |
○ | printNbnxmPressureError(gmx::M[...] | pairlist_tuning.cpp:795 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:436 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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 |
---|---|---|---|
►47.05+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | 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 | |
►17.05+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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 | |
►11.82+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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 | |
►7.27+ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:757 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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+ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | 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 | |
►2.73+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:284 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | 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 | |
►2.27+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | verletBufferPressureError(gmx_[...] | calc_verletbuf.cpp:1537 | libgromacs_mpi.so.9.0.0 |
○ | printNbnxmPressureError(gmx::M[...] | pairlist_tuning.cpp:795 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:436 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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 | |
►1.59+ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:757 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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 | |
►1.36+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:573 | 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 |
---|---|---|---|
►45.99+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | 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 | |
►18.44+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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 | |
►13.23+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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 | |
►6.40+ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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 | |
►4.56+ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | 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 | |
►2.71+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:757 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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 | |
►1.63+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | verletBufferPressureError(gmx_[...] | calc_verletbuf.cpp:1537 | libgromacs_mpi.so.9.0.0 |
○ | printNbnxmPressureError(gmx::M[...] | pairlist_tuning.cpp:795 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:436 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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 | |
►1.52+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:284 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | 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 | |
►1.52+ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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 | |
►1.30+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:573 | 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 | |
►1.19+ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:284 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | 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 |
---|---|---|---|
►57.12+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | 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 | |
►12.15+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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 | |
►9.99+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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 | |
►5.31+ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | 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 | |
►4.19+ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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 | |
►2.51+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:757 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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 | |
►2.51+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:284 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | 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 | |
►1.82+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:573 | 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 | |
►1.05+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | verletBufferPressureError(gmx_[...] | calc_verletbuf.cpp:1537 | libgromacs_mpi.so.9.0.0 |
○ | printNbnxmPressureError(gmx::M[...] | pairlist_tuning.cpp:795 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:436 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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 |
---|---|---|---|
►54.87+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | 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 | |
►14.39+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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 | |
►9.63+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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 | |
►6.25+ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | 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 | |
►4.66+ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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 | |
►1.96+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:284 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | 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 | |
►1.93+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:573 | 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 | |
►1.42+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:757 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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 | |
►1.28+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | verletBufferPressureError(gmx_[...] | calc_verletbuf.cpp:1537 | libgromacs_mpi.so.9.0.0 |
○ | printNbnxmPressureError(gmx::M[...] | pairlist_tuning.cpp:795 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:436 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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 | |
►1.01+ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:284 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | 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 |
---|---|---|---|
►54.92+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | 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 | |
►14.95+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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 | |
►8.90+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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 | |
►6.17+ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | 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 | |
►4.25+ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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 | |
►2.02+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:757 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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 | |
►2.02+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:573 | 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 | |
►1.69+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:284 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | 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 | |
►1.20+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | verletBufferPressureError(gmx_[...] | calc_verletbuf.cpp:1537 | libgromacs_mpi.so.9.0.0 |
○ | printNbnxmPressureError(gmx::M[...] | pairlist_tuning.cpp:795 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:436 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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 | |
►1.04+ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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 |
---|---|---|---|
►53.59+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | 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 | |
►14.98+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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 | |
►9.53+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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 | |
►6.15+ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | 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 | |
►5.00+ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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 | |
►2.12+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:757 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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 | |
►1.83+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:573 | 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 | |
►1.70+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:284 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | 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 | |
►1.20+ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | verletBufferPressureError(gmx_[...] | calc_verletbuf.cpp:1537 | libgromacs_mpi.so.9.0.0 |
○ | printNbnxmPressureError(gmx::M[...] | pairlist_tuning.cpp:795 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:436 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | 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 | |
►1.15+ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:284 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | 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 | |
►1.04+ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:573 | 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 | calc_verletbuf.cpp:606-854 |
Module | libgromacs_mpi.so.9.0.0 |
nb instructions | 64 |
nb uops | 58 |
loop length | 262 |
used x86 registers | 14 |
used mmx registers | 0 |
used xmm registers | 7 |
used ymm registers | 0 |
used zmm registers | 0 |
nb stack references | 13 |
micro-operation queue | 9.67 cycles |
front end | 9.67 cycles |
ALU0/BRU0 | ALU1 | ALU2 | ALU3 | BRU1 | AGU0 | AGU1 | AGU2 | FP0 | FP1 | FP2 | FP3 | FP4 | FP5 | |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
uops | 3.25 | 3.25 | 3.25 | 3.25 | 3.00 | 4.33 | 4.33 | 4.33 | 0.00 | 0.00 | 3.00 | 3.00 | 3.50 | 3.50 |
cycles | 3.25 | 3.25 | 3.25 | 3.25 | 3.00 | 4.33 | 4.33 | 4.33 | 0.00 | 0.00 | 3.00 | 3.00 | 3.50 | 3.50 |
Cycles executing div or sqrt instructions | NA |
Front-end | 9.67 |
Dispatch | 4.33 |
Overall L1 | 9.67 |
all | 0% |
load | 0% |
store | 0% |
mul | NA (no mul vectorizable/vectorized instructions) |
add-sub | 0% |
fma | NA (no fma vectorizable/vectorized instructions) |
other | 0% |
all | 26% |
load | NA (no load vectorizable/vectorized instructions) |
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 | 57% |
all | 13% |
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 | 26% |
all | 12% |
load | 6% |
store | 12% |
mul | NA (no mul vectorizable/vectorized instructions) |
add-sub | 12% |
fma | NA (no fma vectorizable/vectorized instructions) |
other | 11% |
all | 12% |
load | NA (no load vectorizable/vectorized instructions) |
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 | 17% |
all | 12% |
load | 6% |
store | 10% |
mul | NA (no mul vectorizable/vectorized instructions) |
add-sub | 8% |
fma | NA (no fma vectorizable/vectorized instructions) |
div/sqrt | NA (no div/sqrt vectorizable/vectorized instructions) |
other | 14% |
Instruction | Nb FU | ALU0/BRU0 | ALU1 | ALU2 | ALU3 | BRU1 | AGU0 | AGU1 | AGU2 | FP0 | FP1 | FP2 | FP3 | FP4 | FP5 | Latency | Recip. throughput | Vectorization |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
VMOVAPS %XMM0,%XMM7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 | vect (25.0%) |
VXORPS %XMM0,%XMM0,%XMM0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 | vect (25.0%) |
VUCOMISS %XMM0,%XMM7 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 0.50 | 0.50 | 6 | 1 | scal (6.3%) |
JNE ac8ed1 <_ZL11energyDriftN3gmx8ArrayRefIK17VerletbufAtomtypeEEPK14gmx_ffparams_tfRK17pot_derivatives_tS9_S9_fffif+0x11> | 1 | 0.50 | 0 | 0 | 0 | 0.50 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50-1 | N/A |
JP ac8ed1 <_ZL11energyDriftN3gmx8ArrayRefIK17VerletbufAtomtypeEEPK14gmx_ffparams_tfRK17pot_derivatives_tS9_S9_fffif+0x11> | 1 | 0.50 | 0 | 0 | 0 | 0.50 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50-1 | 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 |
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 $0xb8,%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 %RSI,%R14 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 | scal (12.5%) |
SUB %RDI,%R14 | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | scal (12.5%) |
TEST %R14,%R14 | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | scal (12.5%) |
JLE ac96c6 <_ZL11energyDriftN3gmx8ArrayRefIK17VerletbufAtomtypeEEPK14gmx_ffparams_tfRK17pot_derivatives_tS9_S9_fffif+0x806> | 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,%RBX | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 | scal (12.5%) |
MOV %RCX,%R9 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 | scal (12.5%) |
MOV %RDX,%R12 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 | scal (12.5%) |
SAR $0x5,%R14 | 1 | 0 | 0.50 | 0.50 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | scal (12.5%) |
VSUBSS %XMM1,%XMM3,%XMM0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 0 | 0 | 3 | 0.50 | scal (6.3%) |
VMOVSS %XMM0,-0x58(%RBP) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 1 | 1 | scal (6.3%) |
VSUBSS %XMM2,%XMM3,%XMM0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 0 | 0 | 3 | 0.50 | scal (6.3%) |
VMOVSS %XMM0,-0x54(%RBP) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 1 | 1 | scal (6.3%) |
VCVTSS2SD %XMM4,%XMM4,%XMM0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 0 | 0 | 3 | 0.50 | scal (6.3%) |
VMOVSD %XMM0,-0x98(%RBP) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 1 | 1 | scal (12.5%) |
VCVTSI2SDL 0x10(%RBP),%XMM5,%XMM0 | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0.50 | 0.50 | 0 | 0 | 3 | 0.50 | scal (6.3%) |
VMOVSD %XMM0,-0x90(%RBP) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 1 | 1 | scal (12.5%) |
CMP $0x2,%R14 | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | scal (12.5%) |
MOV $0x1,%EAX | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
CMOVGE %R14,%RAX | 1 | 0.50 | 0 | 0 | 0.50 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | N/A |
MOV %RAX,-0xc8(%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%) |
LEA 0x20(%RDI),%R13 | 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 %R14,%RAX | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 | N/A |
NEG %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 |
MOV %RAX,-0xa8(%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%) |
VXORPS %XMM5,%XMM5,%XMM5 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 | vect (25.0%) |
XOR %EAX,%EAX | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.25 | N/A |
VMOVSS %XMM3,-0x3c(%RBP) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 1 | 1 | scal (6.3%) |
VMOVSS %XMM7,-0x38(%RBP) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 1 | 1 | scal (6.3%) |
MOV %R14,-0xd8(%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 %RDI,-0xd0(%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 %R8,-0x68(%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,-0x60(%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%) |
JMP ac8fb4 <_ZL11energyDriftN3gmx8ArrayRefIK17VerletbufAtomtypeEEPK14gmx_ffparams_tfRK17pot_derivatives_tS9_S9_fffif+0xf4> | 1 | 0.50 | 0 | 0 | 0 | 0.50 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | N/A |
NOPL (%RAX) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.09 | N/A |
NOPW (%RAX,%RAX,1) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.09 | N/A |
NOPL (%RAX,%RAX,1) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.09 | N/A |
NOPL (%RAX) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.09 | N/A |
NOPW %CS:(%RAX,%RAX,1) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.09 | N/A |
NOPW %CS:(%RAX,%RAX,1) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.09 | N/A |
NOPL (%RAX) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.09 | N/A |
VXORPS %XMM5,%XMM5,%XMM5 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 | vect (25.0%) |
VCVTSD2SS %XMM5,%XMM5,%XMM0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 0 | 0 | 3 | 0.50 | scal (12.5%) |
ADD $0xb8,%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 | calc_verletbuf.cpp:606-854 |
Module | libgromacs_mpi.so.9.0.0 |
nb instructions | 64 |
nb uops | 58 |
loop length | 262 |
used x86 registers | 14 |
used mmx registers | 0 |
used xmm registers | 7 |
used ymm registers | 0 |
used zmm registers | 0 |
nb stack references | 13 |
micro-operation queue | 9.67 cycles |
front end | 9.67 cycles |
ALU0/BRU0 | ALU1 | ALU2 | ALU3 | BRU1 | AGU0 | AGU1 | AGU2 | FP0 | FP1 | FP2 | FP3 | FP4 | FP5 | |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
uops | 3.25 | 3.25 | 3.25 | 3.25 | 3.00 | 4.33 | 4.33 | 4.33 | 0.00 | 0.00 | 3.00 | 3.00 | 3.50 | 3.50 |
cycles | 3.25 | 3.25 | 3.25 | 3.25 | 3.00 | 4.33 | 4.33 | 4.33 | 0.00 | 0.00 | 3.00 | 3.00 | 3.50 | 3.50 |
Cycles executing div or sqrt instructions | NA |
Front-end | 9.67 |
Dispatch | 4.33 |
Overall L1 | 9.67 |
all | 0% |
load | 0% |
store | 0% |
mul | NA (no mul vectorizable/vectorized instructions) |
add-sub | 0% |
fma | NA (no fma vectorizable/vectorized instructions) |
other | 0% |
all | 26% |
load | NA (no load vectorizable/vectorized instructions) |
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 | 57% |
all | 13% |
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 | 26% |
all | 12% |
load | 6% |
store | 12% |
mul | NA (no mul vectorizable/vectorized instructions) |
add-sub | 12% |
fma | NA (no fma vectorizable/vectorized instructions) |
other | 11% |
all | 12% |
load | NA (no load vectorizable/vectorized instructions) |
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 | 17% |
all | 12% |
load | 6% |
store | 10% |
mul | NA (no mul vectorizable/vectorized instructions) |
add-sub | 8% |
fma | NA (no fma vectorizable/vectorized instructions) |
div/sqrt | NA (no div/sqrt vectorizable/vectorized instructions) |
other | 14% |
Instruction | Nb FU | ALU0/BRU0 | ALU1 | ALU2 | ALU3 | BRU1 | AGU0 | AGU1 | AGU2 | FP0 | FP1 | FP2 | FP3 | FP4 | FP5 | Latency | Recip. throughput | Vectorization |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
VMOVAPS %XMM0,%XMM7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 | vect (25.0%) |
VXORPS %XMM0,%XMM0,%XMM0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 | vect (25.0%) |
VUCOMISS %XMM0,%XMM7 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 0.50 | 0.50 | 6 | 1 | scal (6.3%) |
JNE ac8ed1 <_ZL11energyDriftN3gmx8ArrayRefIK17VerletbufAtomtypeEEPK14gmx_ffparams_tfRK17pot_derivatives_tS9_S9_fffif+0x11> | 1 | 0.50 | 0 | 0 | 0 | 0.50 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50-1 | N/A |
JP ac8ed1 <_ZL11energyDriftN3gmx8ArrayRefIK17VerletbufAtomtypeEEPK14gmx_ffparams_tfRK17pot_derivatives_tS9_S9_fffif+0x11> | 1 | 0.50 | 0 | 0 | 0 | 0.50 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50-1 | 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 |
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 $0xb8,%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 %RSI,%R14 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 | scal (12.5%) |
SUB %RDI,%R14 | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | scal (12.5%) |
TEST %R14,%R14 | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | scal (12.5%) |
JLE ac96c6 <_ZL11energyDriftN3gmx8ArrayRefIK17VerletbufAtomtypeEEPK14gmx_ffparams_tfRK17pot_derivatives_tS9_S9_fffif+0x806> | 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,%RBX | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 | scal (12.5%) |
MOV %RCX,%R9 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 | scal (12.5%) |
MOV %RDX,%R12 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 | scal (12.5%) |
SAR $0x5,%R14 | 1 | 0 | 0.50 | 0.50 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | scal (12.5%) |
VSUBSS %XMM1,%XMM3,%XMM0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 0 | 0 | 3 | 0.50 | scal (6.3%) |
VMOVSS %XMM0,-0x58(%RBP) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 1 | 1 | scal (6.3%) |
VSUBSS %XMM2,%XMM3,%XMM0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 0 | 0 | 3 | 0.50 | scal (6.3%) |
VMOVSS %XMM0,-0x54(%RBP) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 1 | 1 | scal (6.3%) |
VCVTSS2SD %XMM4,%XMM4,%XMM0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 0 | 0 | 3 | 0.50 | scal (6.3%) |
VMOVSD %XMM0,-0x98(%RBP) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 1 | 1 | scal (12.5%) |
VCVTSI2SDL 0x10(%RBP),%XMM5,%XMM0 | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0.50 | 0.50 | 0 | 0 | 3 | 0.50 | scal (6.3%) |
VMOVSD %XMM0,-0x90(%RBP) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 1 | 1 | scal (12.5%) |
CMP $0x2,%R14 | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | scal (12.5%) |
MOV $0x1,%EAX | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
CMOVGE %R14,%RAX | 1 | 0.50 | 0 | 0 | 0.50 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | N/A |
MOV %RAX,-0xc8(%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%) |
LEA 0x20(%RDI),%R13 | 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 %R14,%RAX | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 | N/A |
NEG %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 |
MOV %RAX,-0xa8(%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%) |
VXORPS %XMM5,%XMM5,%XMM5 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 | vect (25.0%) |
XOR %EAX,%EAX | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.25 | N/A |
VMOVSS %XMM3,-0x3c(%RBP) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 1 | 1 | scal (6.3%) |
VMOVSS %XMM7,-0x38(%RBP) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 1 | 1 | scal (6.3%) |
MOV %R14,-0xd8(%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 %RDI,-0xd0(%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 %R8,-0x68(%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,-0x60(%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%) |
JMP ac8fb4 <_ZL11energyDriftN3gmx8ArrayRefIK17VerletbufAtomtypeEEPK14gmx_ffparams_tfRK17pot_derivatives_tS9_S9_fffif+0xf4> | 1 | 0.50 | 0 | 0 | 0 | 0.50 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | N/A |
NOPL (%RAX) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.09 | N/A |
NOPW (%RAX,%RAX,1) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.09 | N/A |
NOPL (%RAX,%RAX,1) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.09 | N/A |
NOPL (%RAX) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.09 | N/A |
NOPW %CS:(%RAX,%RAX,1) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.09 | N/A |
NOPW %CS:(%RAX,%RAX,1) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.09 | N/A |
NOPL (%RAX) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.09 | N/A |
VXORPS %XMM5,%XMM5,%XMM5 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 | vect (25.0%) |
VCVTSD2SS %XMM5,%XMM5,%XMM0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 0 | 0 | 3 | 0.50 | scal (12.5%) |
ADD $0xb8,%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 | 0.48 | 0.03 | 0.25 | 0.08 | 0.12 | 0.16 | 0.06 | 0.33 | 0.04 | 0.42 | 0.02 | 0.57 | 0.01 | 1.38 | 0.01 | 1.76 |
Run | Number of threads | Efficiency (ideal is 1) | Speedup | Ideal Speedup | Time (s) | Coverage (%) |
---|---|---|---|---|---|---|
1x1 | 1 | 1 | 1 | 1 | 0.26499998569489 | 0.031789653003216 |
2x1 | 2 | 0.48 | 0.96 | 2 | 0.30499997735023 | 0.06067031621933 |
4x1 | 4 | 0.25 | 0.98 | 4 | 0.3350000679493 | 0.10844483971596 |
8x1 | 8 | 0.12 | 0.96 | 8 | 0.32499998807907 | 0.17780315876007 |
16x1 | 16 | 0.06 | 0.92 | 16 | 0.3850000500679 | 0.3499351143837 |
32x1 | 32 | 0.04 | 1.18 | 32 | 0.33000001311302 | 0.43587300181389 |
64x1 | 64 | 0.02 | 1.14 | 64 | 0.37000000476837 | 0.583840072155 |
128x1 | 128 | 0.01 | 1.12 | 128 | 0.3499998152256 | 1.3937793970108 |
192x1 | 192 | 0.01 | 1.11 | 192 | 0.37000006437302 | 1.772724032402 |
Name | Coverage (%) | Time (s) |
---|---|---|
▼energyDrift(gmx::ArrayRef | 1.77 | 0.24 |
▼Loop 14220 - calc_verletbuf.cpp:606-849 - libgromacs_mpi.so.9.0.0– | 0.02 | 0.01 |
○Loop 14221 - calc_verletbuf.cpp:606-849 - libgromacs_mpi.so.9.0.0 | 1.75 | 0.23 |