| Name | Module | Coverage orig_0 (%) | Coverage Excluding Loops orig_0 (%) | Max Inclusive Time Over Threads orig_0 (s) | Max Exclusive Time Over Threads orig_0 (s) | Inclusive Time w.r.t. Wall Time orig_0 (s) | Exclusive Time w.r.t. Wall Time orig_0 (s) | Nb Threads orig_0 | Deviation (coverage) orig_0 | Deviation (walltime) orig_0 | Categories orig_0 | GFLOPS orig_0 | Compilation Options |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| ►void LAMMPS_NS::PairEAMIntel::eval<1, 0, 1, float, double>(int, int, LAMMPS_NS::IntelBuffers<float, double>*, LAMMPS_NS::PairEAMIntel::ForceConst<float> const&, int, int) [clone .extracted] | exec | 55.99 | 0.01 | 20.10 | 0.02 | 19.62 | 0.00 | 256 | 0.29 | 0.14 | Exe (%): 100.00 OMP (%): 0.00 MPI (%): 0.00 | 1986.26 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2025.1.1 (2025.1.1.20250418) /opt/intel/oneapi/compiler/2025.1/bin/compiler/clang --driver-mode=g++ --intel -D FFT_MKL -D FFT_MKL_THREADS -D LAMMPS_FFMPEG -D LAMMPS_GZIP -D LAMMPS_JPEG -D LAMMPS_MEMALIGN=64 -D... |
| ○Loop 31409 - pair_eam_intel.cpp:440-464 - exec [...] | 0.49 | 0.49 | 0.26 | 0.26 | 0.17 | 0.17 | 256 | 0.09 | 0.03 | 768.77 | |||
| ○Loop 31415 - pair_eam_intel.cpp:394-394 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 31410 - pair_eam_intel.cpp:382-382 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 31411 - pair_eam_intel.cpp:405-405 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 31406 - pair_eam_intel.cpp:291-605 - exec [...] | 34.50 | 15.42 | 13.21 | 5.91 | 12.09 | 5.40 | 256 | 0.37 | 0.13 | 2302.52 | |||
| ○Loop 31407 - pair_eam_intel.cpp:513-521 - exec | 8.84 | 8.84 | 3.45 | 3.45 | 3.10 | 3.10 | 256 | 0.34 | 0.12 | 1765.67 | |||
| ○Loop 31408 - pair_eam_intel.cpp:545-602 - exec [...] | 10.24 | 10.24 | 3.85 | 3.85 | 3.59 | 3.59 | 256 | 0.34 | 0.12 | 2405.59 | |||
| ►Loop 31412 - pair_eam_intel.cpp:291-405 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 31413 - pair_eam_intel.cpp:405-405 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 31414 - pair_eam_intel.cpp:405-405 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 31416 - pair_eam_intel.cpp:291-363 - exec [...] | 21.00 | 7.97 | 8.15 | 3.10 | 7.36 | 2.79 | 256 | 0.29 | 0.10 | 2099.21 | |||
| ○Loop 31417 - pair_eam_intel.cpp:312-320 - exec | 8.02 | 8.02 | 3.09 | 3.09 | 2.81 | 2.81 | 256 | 0.29 | 0.10 | 1492.18 | |||
| ○Loop 31418 - pair_eam_intel.cpp:340-361 - exec [...] | 5.01 | 5.01 | 1.96 | 1.96 | 1.75 | 1.75 | 256 | 0.21 | 0.07 | 1276.90 | |||
| ►void LAMMPS_NS::NPairIntel::bin_newton<float, double, 0, 0, 0, 0, 0>(int, LAMMPS_NS::NeighList*, LAMMPS_NS::IntelBuffers<float, double>*, int, int, int) [clone .extracted] | exec | 6.16 | 0.00 | 2.28 | 0.01 | 2.16 | 0.00 | 256 | 0.06 | 0.02 | Exe (%): 100.00 MPI (%): 0.00 OMP (%): 0.00 | 1677.89 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2025.1.1 (2025.1.1.20250418) /opt/intel/oneapi/compiler/2025.1/bin/compiler/clang --driver-mode=g++ --intel -D FFT_MKL -D FFT_MKL_THREADS -D LAMMPS_FFMPEG -D LAMMPS_GZIP -D LAMMPS_JPEG -D LAMMPS_MEMALIGN=64 -D... |
| ►Loop 27776 - npair_intel.cpp:330-761 - exec [...] | 6.16 | 2.22 | 2.80 | 0.91 | 2.16 | 0.78 | 256 | 0.15 | 0.05 | 1761.17 | |||
| ○Loop 27777 - npair_intel.cpp:730-731 - exec | 0.07 | 0.07 | 0.07 | 0.07 | 0.02 | 0.02 | 256 | 0.03 | 0.01 | 1867.55 | |||
| ○Loop 27785 - npair_intel.cpp:474-558 - exec [...] | 1.29 | 1.29 | 0.57 | 0.57 | 0.45 | 0.45 | 256 | 0.12 | 0.04 | 4842.31 | |||
| ►Loop 27782 - npair_intel.cpp:562-598 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 27784 - npair_intel.cpp:572-587 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 27783 - npair_intel.cpp:572-587 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 27778 - npair_intel.cpp:730-731 - exec | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 255 | 0.01 | 0.00 | 3997.94 | |||
| ○Loop 27788 - npair_intel.cpp:392-400 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 27780 - npair_intel.cpp:648-654 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 27790 - npair_intel.cpp:366-371 - exec | 1.64 | 1.64 | 0.73 | 0.73 | 0.58 | 0.58 | 256 | 0.13 | 0.05 | 0.00 | |||
| ○Loop 27779 - npair_intel.cpp:648-654 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 27786 - npair_intel.cpp:414-457 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 27791 - npair_intel.cpp:330-354 - exec [...] | 0.88 | 0.80 | 0.44 | 0.38 | 0.31 | 0.28 | 256 | 0.10 | 0.04 | 7.91 | |||
| ○Loop 27792 - npair_intel.cpp:353-354 - exec | 0.08 | 0.08 | 0.06 | 0.06 | 0.03 | 0.03 | 252 | 0.03 | 0.01 | 0.91 | |||
| ○Loop 27789 - npair_intel.cpp:358-371 - exec [...] | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 136 | 0.01 | 0.00 | 0.00 | |||
| ○Loop 27781 - npair_intel.cpp:587-587 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 27787 - npair_intel.cpp:392-398 - exec | 0.04 | 0.04 | 0.04 | 0.04 | 0.01 | 0.01 | 239 | 0.02 | 0.01 | 0.00 | |||
| ►LAMMPS_NS::FixNVEIntel::initial_integrate(int) | exec | 4.67 | 0.00 | 1.83 | 0.01 | 1.64 | 0.00 | 256 | 0.19 | 0.07 | Exe (%): 100.00 | 152.87 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2025.1.1 (2025.1.1.20250418) /opt/intel/oneapi/compiler/2025.1/bin/compiler/clang --driver-mode=g++ --intel -D FFT_MKL -D FFT_MKL_THREADS -D LAMMPS_FFMPEG -D LAMMPS_GZIP -D LAMMPS_JPEG -D LAMMPS_MEMALIGN=64 -D... |
| ○Loop 6252 - fix_nve_intel.cpp:107-111 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6250 - fix_nve_intel.cpp:93-95 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6251 - fix_nve_intel.cpp:79-81 - exec | 4.67 | 4.67 | 1.82 | 1.82 | 1.63 | 1.63 | 256 | 0.19 | 0.07 | 152.94 | |||
| ►void LAMMPS_NS::FixIntel::add_oresults<LAMMPS_NS::IntelBuffers<float, double>::vec3_acc_t, double>(LAMMPS_NS::IntelBuffers<float, double>::vec3_acc_t const*, double const*, int, int, int, int) [clone .extracted] | exec | 4.05 | 0.00 | 1.60 | 0.01 | 1.42 | 0.00 | 256 | 0.20 | 0.07 | Exe (%): 100.00 | 49.34 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2025.1.1 (2025.1.1.20250418) /opt/intel/oneapi/compiler/2025.1/bin/compiler/clang --driver-mode=g++ --intel -D FFT_MKL -D FFT_MKL_THREADS -D LAMMPS_FFMPEG -D LAMMPS_GZIP -D LAMMPS_JPEG -D LAMMPS_MEMALIGN=64 -D... |
| ○Loop 6054 - fix_intel.cpp:873-877 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6056 - fix_intel.cpp:856-862 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6057 - fix_intel.cpp:841-848 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6052 - fix_intel.cpp:884-887 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 2 | 0.01 | 0.00 | 204.46 | |||
| ○Loop 6055 - fix_intel.cpp:856-861 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6053 - fix_intel.cpp:884-887 - exec | 4.05 | 4.05 | 1.60 | 1.60 | 1.42 | 1.42 | 256 | 0.20 | 0.07 | 49.35 | |||
| ►LAMMPS_NS::AtomVec::copy(int, int, int) | exec | 3.83 | 3.83 | 1.41 | 1.41 | 1.34 | 1.34 | 256 | 0.11 | 0.04 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2025.1.1 (2025.1.1.20250418) /opt/intel/oneapi/compiler/2025.1/bin/compiler/clang --driver-mode=g++ --intel -D FFT_MKL -D FFT_MKL_THREADS -D LAMMPS_FFMPEG -D LAMMPS_GZIP -D LAMMPS_JPEG -D LAMMPS_MEMALIGN=64 -D... |
| ○Loop 6970 - atom_vec.cpp:346-347 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 6971 - atom_vec.cpp:283-337 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6987 - atom_vec.cpp:294-294 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6983 - atom_vec.cpp:311-311 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6972 - atom_vec.cpp:337-337 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6975 - atom_vec.cpp:328-328 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6978 - atom_vec.cpp:320-320 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6976 - atom_vec.cpp:328-328 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6988 - atom_vec.cpp:294-294 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6979 - atom_vec.cpp:320-320 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6973 - atom_vec.cpp:337-337 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6989 - atom_vec.cpp:294-294 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6985 - atom_vec.cpp:303-303 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6986 - atom_vec.cpp:303-303 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6981 - atom_vec.cpp:311-311 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6984 - atom_vec.cpp:303-303 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6977 - atom_vec.cpp:328-328 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6974 - atom_vec.cpp:337-337 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6980 - atom_vec.cpp:320-320 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6982 - atom_vec.cpp:311-311 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○MPID_Progress_idle_timer_stop | libmpi.so.12.0.0 | 3.70 | 3.70 | 1.78 | 1.78 | 1.29 | 1.29 | 256 | 0.41 | 0.14 | MPI (%): 100.00 | 0.00 | |
| ►void LAMMPS_NS::PairEAMIntel::compute<float, double>(int, int, LAMMPS_NS::IntelBuffers<float, double>*, LAMMPS_NS::PairEAMIntel::ForceConst<float> const&) [clone .extracted] | exec | 3.60 | 0.00 | 1.43 | 0.01 | 1.26 | 0.00 | 256 | 0.16 | 0.05 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2025.1.1 (2025.1.1.20250418) /opt/intel/oneapi/compiler/2025.1/bin/compiler/clang --driver-mode=g++ --intel -D FFT_MKL -D FFT_MKL_THREADS -D LAMMPS_FFMPEG -D LAMMPS_GZIP -D LAMMPS_JPEG -D LAMMPS_MEMALIGN=64 -D... |
| ○Loop 31379 - intel_buffers.h:228-231 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 31380 - intel_buffers.h:228-231 - exec | 3.60 | 3.60 | 1.43 | 1.43 | 1.26 | 1.26 | 256 | 0.16 | 0.05 | 0.00 | |||
| ►__intel_avx_rep_memset | exec | 3.02 | 3.02 | 1.29 | 1.29 | 1.06 | 1.06 | 256 | 0.21 | 0.07 | Memory (%): 100.00 | 0.00 | |
| ○Loop 32922 - - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►LAMMPS_NS::FixNVEIntel::final_integrate() | exec | 2.51 | 0.00 | 1.07 | 0.02 | 0.88 | 0.00 | 256 | 0.20 | 0.07 | Exe (%): 100.00 | 171.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2025.1.1 (2025.1.1.20250418) /opt/intel/oneapi/compiler/2025.1/bin/compiler/clang --driver-mode=g++ --intel -D FFT_MKL -D FFT_MKL_THREADS -D LAMMPS_FFMPEG -D LAMMPS_GZIP -D LAMMPS_JPEG -D LAMMPS_MEMALIGN=64 -D... |
| ○Loop 6254 - fix_nve_intel.cpp:135-135 - exec | 2.51 | 2.51 | 1.07 | 1.07 | 0.88 | 0.88 | 256 | 0.20 | 0.07 | 171.14 | |||
| ○Loop 6253 - fix_nve_intel.cpp:147-148 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6255 - fix_nve_intel.cpp:160-160 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►void LAMMPS_NS::PairEAMIntel::eval<1, 1, 1, float, double>(int, int, LAMMPS_NS::IntelBuffers<float, double>*, LAMMPS_NS::PairEAMIntel::ForceConst<float> const&, int, int) [clone .extracted] | exec | 1.56 | 0.00 | 0.56 | 0.01 | 0.55 | 0.00 | 256 | 0.03 | 0.01 | Exe (%): 100.00 | 2092.87 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2025.1.1 (2025.1.1.20250418) /opt/intel/oneapi/compiler/2025.1/bin/compiler/clang --driver-mode=g++ --intel -D FFT_MKL -D FFT_MKL_THREADS -D LAMMPS_FFMPEG -D LAMMPS_GZIP -D LAMMPS_JPEG -D LAMMPS_MEMALIGN=64 -D... |
| ○Loop 31387 - pair_eam_intel.cpp:440-464 - exec | 0.02 | 0.02 | 0.03 | 0.03 | 0.01 | 0.01 | 256 | 0.02 | 0.01 | 1185.96 | |||
| ○Loop 31390 - pair_eam_intel.cpp:405-405 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 31394 - pair_eam_intel.cpp:394-394 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 31391 - pair_eam_intel.cpp:291-405 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 31392 - pair_eam_intel.cpp:405-405 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 31393 - pair_eam_intel.cpp:405-405 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 31389 - pair_eam_intel.cpp:382-382 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 31388 - pair_eam_intel.cpp:440-464 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 31384 - pair_eam_intel.cpp:291-614 - exec [...] | 0.95 | 0.41 | 0.50 | 0.20 | 0.33 | 0.14 | 256 | 0.06 | 0.02 | 2781.50 | |||
| ○Loop 31385 - pair_eam_intel.cpp:513-521 - exec | 0.26 | 0.26 | 0.14 | 0.14 | 0.09 | 0.09 | 256 | 0.05 | 0.02 | 1656.84 | |||
| ○Loop 31386 - pair_eam_intel.cpp:533-602 - exec [...] | 0.28 | 0.28 | 0.16 | 0.16 | 0.10 | 0.10 | 256 | 0.05 | 0.02 | 2462.75 | |||
| ►Loop 31395 - pair_eam_intel.cpp:291-363 - exec [...] | 0.59 | 0.23 | 0.33 | 0.13 | 0.21 | 0.08 | 256 | 0.05 | 0.02 | 2067.58 | |||
| ○Loop 31396 - pair_eam_intel.cpp:312-320 - exec | 0.22 | 0.22 | 0.11 | 0.11 | 0.08 | 0.08 | 256 | 0.05 | 0.02 | 1494.22 | |||
| ○Loop 31397 - pair_eam_intel.cpp:340-361 - exec [...] | 0.14 | 0.14 | 0.09 | 0.09 | 0.05 | 0.05 | 256 | 0.04 | 0.01 | 1286.75 | |||
| ○MPIR_Progress_hook_exec_on_vci | libmpi.so.12.0.0 | 1.54 | 1.54 | 0.73 | 0.73 | 0.54 | 0.54 | 256 | 0.21 | 0.07 | MPI (%): 100.00 | 0.00 | |
| ►LAMMPS_NS::Neighbor::check_distance() | exec | 0.95 | 0.00 | 0.43 | 0.01 | 0.33 | 0.00 | 256 | 0.13 | 0.04 | Exe (%): 100.00 | 119.64 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2025.1.1 (2025.1.1.20250418) /opt/intel/oneapi/compiler/2025.1/bin/compiler/clang --driver-mode=g++ --intel -D FFT_MKL -D FFT_MKL_THREADS -D LAMMPS_FFMPEG -D LAMMPS_GZIP -D LAMMPS_JPEG -D LAMMPS_MEMALIGN=64 -D... |
| ○Loop 721 - neighbor.cpp:2429-2434 - exec | 0.94 | 0.94 | 0.43 | 0.43 | 0.33 | 0.33 | 256 | 0.13 | 0.04 | 119.78 | |||
| ►LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | exec | 0.93 | 0.00 | 0.47 | 0.01 | 0.33 | 0.00 | 256 | 0.12 | 0.04 | Exe (%): 100.00 | 7.65 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2025.1.1 (2025.1.1.20250418) /opt/intel/oneapi/compiler/2025.1/bin/compiler/clang --driver-mode=g++ --intel -D FFT_MKL -D FFT_MKL_THREADS -D LAMMPS_FFMPEG -D LAMMPS_GZIP -D LAMMPS_JPEG -D LAMMPS_MEMALIGN=64 -D... |
| ○Loop 7005 - atom_vec.cpp:360-364 - exec | 0.80 | 0.80 | 0.39 | 0.39 | 0.28 | 0.28 | 256 | 0.17 | 0.06 | 0.00 | |||
| ►Loop 6990 - atom_vec.cpp:359-428 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6995 - atom_vec.cpp:414-414 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 6996 - atom_vec.cpp:359-414 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6997 - atom_vec.cpp:414-414 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6998 - atom_vec.cpp:414-414 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6999 - atom_vec.cpp:392-394 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6993 - atom_vec.cpp:426-428 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 7001 - atom_vec.cpp:359-400 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7002 - atom_vec.cpp:400-400 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7004 - atom_vec.cpp:400-400 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7003 - atom_vec.cpp:400-400 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6994 - atom_vec.cpp:406-408 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6991 - atom_vec.cpp:420-422 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6992 - atom_vec.cpp:426-428 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7000 - atom_vec.cpp:392-394 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7006 - atom_vec.cpp:376-380 - exec | 0.13 | 0.13 | 0.22 | 0.22 | 0.05 | 0.05 | 184 | 0.12 | 0.04 | 54.46 | |||
| ►LAMMPS_NS::AtomVec::unpack_reverse(int, int*, double*) | exec | 0.90 | 0.00 | 0.44 | 0.01 | 0.31 | 0.00 | 256 | 0.13 | 0.04 | Exe (%): 100.00 | 62.61 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2025.1.1 (2025.1.1.20250418) /opt/intel/oneapi/compiler/2025.1/bin/compiler/clang --driver-mode=g++ --intel -D FFT_MKL -D FFT_MKL_THREADS -D LAMMPS_FFMPEG -D LAMMPS_GZIP -D LAMMPS_JPEG -D LAMMPS_MEMALIGN=64 -D... |
| ►Loop 7072 - atom_vec.cpp:733-784 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7083 - atom_vec.cpp:748-750 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7084 - atom_vec.cpp:748-750 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 7081 - atom_vec.cpp:733-770 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7082 - atom_vec.cpp:770-770 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7074 - atom_vec.cpp:776-778 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 7076 - atom_vec.cpp:733-784 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7078 - atom_vec.cpp:784-784 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7077 - atom_vec.cpp:784-784 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7079 - atom_vec.cpp:762-764 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 7085 - atom_vec.cpp:733-756 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7087 - atom_vec.cpp:756-756 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7086 - atom_vec.cpp:756-756 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7075 - atom_vec.cpp:784-784 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7080 - atom_vec.cpp:762-764 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7073 - atom_vec.cpp:776-778 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7088 - atom_vec.cpp:733-737 - exec | 0.89 | 0.89 | 0.44 | 0.44 | 0.31 | 0.31 | 256 | 0.13 | 0.04 | 62.66 | |||
| ►LAMMPS_NS::CommBrick::borders() | exec | 0.77 | 0.00 | 0.37 | 0.01 | 0.27 | 0.00 | 256 | 0.10 | 0.03 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2025.1.1 (2025.1.1.20250418) /opt/intel/oneapi/compiler/2025.1/bin/compiler/clang --driver-mode=g++ --intel -D FFT_MKL -D FFT_MKL_THREADS -D LAMMPS_FFMPEG -D LAMMPS_GZIP -D LAMMPS_JPEG -D LAMMPS_MEMALIGN=64 -D... |
| ○Loop 7837 - basic_string.h:223-289 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 7838 - comm_brick.cpp:795-961 - exec [...] | 0.77 | 0.00 | 0.37 | 0.00 | 0.27 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 7839 - comm_brick.cpp:798-961 - exec [...] | 0.77 | 0.00 | 0.37 | 0.01 | 0.27 | 0.00 | 22 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7845 - comm_brick.cpp:902-906 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7846 - comm_brick.cpp:895-899 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7844 - comm_brick.cpp:867-870 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7843 - comm_brick.cpp:872-875 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7848 - comm_brick.cpp:879-883 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7847 - comm_brick.cpp:886-890 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7841 - comm_brick.cpp:855-859 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7842 - comm_brick.cpp:847-851 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7840 - comm_brick.cpp:841-844 - exec | 0.77 | 0.77 | 0.37 | 0.37 | 0.27 | 0.27 | 256 | 0.10 | 0.03 | 0.00 | |||
| ►void LAMMPS_NS::NBinIntel::bin_atoms<float, double>(LAMMPS_NS::IntelBuffers<float, double>*) | exec | 0.71 | 0.00 | 0.31 | 0.01 | 0.25 | 0.00 | 256 | 0.07 | 0.02 | Exe (%): 100.00 | 48.88 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2025.1.1 (2025.1.1.20250418) /opt/intel/oneapi/compiler/2025.1/bin/compiler/clang --driver-mode=g++ --intel -D FFT_MKL -D FFT_MKL_THREADS -D LAMMPS_FFMPEG -D LAMMPS_GZIP -D LAMMPS_JPEG -D LAMMPS_MEMALIGN=64 -D... |
| ○Loop 6220 - nbin_intel.cpp:204-210 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6221 - nbin_intel.cpp:198-198 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6215 - basic_string.h:223-289 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6226 - intel_buffers.h:210-214 - exec | 0.39 | 0.39 | 0.20 | 0.20 | 0.14 | 0.14 | 256 | 0.06 | 0.02 | 0.00 | |||
| ○Loop 6224 - intel_buffers.h:210-214 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6218 - nbin_intel.cpp:220-225 - exec | 0.17 | 0.17 | 0.10 | 0.10 | 0.06 | 0.06 | 256 | 0.05 | 0.02 | 207.33 | |||
| ►Loop 6216 - nbin_intel.cpp:229-233 - exec | 0.15 | 0.07 | 0.14 | 0.07 | 0.05 | 0.02 | 253 | 0.03 | 0.01 | 0.00 | |||
| ○Loop 6217 - nbin_intel.cpp:232-233 - exec | 0.09 | 0.09 | 0.07 | 0.07 | 0.03 | 0.03 | 256 | 0.03 | 0.01 | 0.00 | |||
| ○Loop 6225 - intel_buffers.h:221-222 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6219 - nbin_intel.cpp:213-217 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6222 - nbin_intel.cpp:198-198 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6223 - nbin_intel.cpp:198-198 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○I_MPI_memcpy_multipage_avx2 | libmpi.so.12.0.0 | 0.65 | 0.65 | 0.33 | 0.33 | 0.23 | 0.23 | 256 | 0.10 | 0.03 | MPI (%): 100.00 | 0.00 | |
| ○MPIDI_Progress_test | libmpi.so.12.0.0 | 0.58 | 0.58 | 0.34 | 0.34 | 0.20 | 0.20 | 256 | 0.11 | 0.04 | MPI (%): 100.00 | 0.00 | |
| ○MPID_CH4_SHM_bcast_intra_heap_init_cnt | libmpi.so.12.0.0 | 0.50 | 0.50 | 0.30 | 0.30 | 0.17 | 0.17 | 255 | 0.14 | 0.05 | MPI (%): 100.00 | 0.00 | |
| ►LAMMPS_NS::Atom::sort() | exec | 0.33 | 0.00 | 0.22 | 0.01 | 0.11 | 0.00 | 256 | 0.07 | 0.02 | Exe (%): 100.00 | 150.18 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2025.1.1 (2025.1.1.20250418) /opt/intel/oneapi/compiler/2025.1/bin/compiler/clang --driver-mode=g++ --intel -D FFT_MKL -D FFT_MKL_THREADS -D LAMMPS_FFMPEG -D LAMMPS_GZIP -D LAMMPS_JPEG -D LAMMPS_MEMALIGN=64 -D... |
| ○Loop 6730 - atom.cpp:2355-2355 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6729 - atom.cpp:2355-2355 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6721 - atom.cpp:2355-2355 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 6726 - atom.cpp:2384-2387 - exec | 0.11 | 0.04 | 0.09 | 0.04 | 0.04 | 0.01 | 245 | 0.02 | 0.01 | 0.00 | |||
| ○Loop 6727 - atom.cpp:2386-2387 - exec | 0.06 | 0.06 | 0.05 | 0.05 | 0.02 | 0.02 | 254 | 0.03 | 0.01 | 0.00 | |||
| ►Loop 6722 - atom.cpp:2405-2414 - exec | 0.09 | 0.03 | 0.09 | 0.03 | 0.03 | 0.01 | 223 | 0.02 | 0.01 | 0.00 | |||
| ○Loop 6723 - atom.cpp:2409-2411 - exec | 0.06 | 0.06 | 0.06 | 0.06 | 0.02 | 0.02 | 251 | 0.03 | 0.01 | 0.00 | |||
| ○Loop 6725 - atom.cpp:2396-2396 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6728 - atom.cpp:2361-2373 - exec | 0.13 | 0.13 | 0.09 | 0.09 | 0.05 | 0.05 | 256 | 0.04 | 0.01 | 372.14 | |||
| ○Loop 6724 - atom.cpp:2396-2396 - exec | 0.00 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 59 | 0.01 | 0.00 | 0.00 | |||
| ►LAMMPS_NS::Neighbor::build(int) | exec | 0.31 | 0.00 | 0.16 | 0.01 | 0.11 | 0.00 | 256 | 0.06 | 0.02 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2025.1.1 (2025.1.1.20250418) /opt/intel/oneapi/compiler/2025.1/bin/compiler/clang --driver-mode=g++ --intel -D FFT_MKL -D FFT_MKL_THREADS -D LAMMPS_FFMPEG -D LAMMPS_GZIP -D LAMMPS_JPEG -D LAMMPS_MEMALIGN=64 -D... |
| ○Loop 726 - neighbor.cpp:2512-2514 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 4 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 723 - neighbor.cpp:2539-2541 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 731 - memory.h:155-156 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 6 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 728 - neighbor.cpp:2343-2344 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 730 - neighbor.cpp:2479-2482 - exec | 0.31 | 0.31 | 0.16 | 0.16 | 0.11 | 0.11 | 256 | 0.06 | 0.02 | 0.00 | |||
| ○Loop 727 - neighbor.cpp:2349-2351 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 729 - neighbor.cpp:2479-2482 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 725 - neighbor.cpp:2521-2526 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 7 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 722 - basic_string.h:223-289 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 724 - neighbor.cpp:2539-2541 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►LAMMPS_NS::NBin::coord2bin(double*) | exec | 0.30 | 0.30 | 0.20 | 0.20 | 0.11 | 0.11 | 256 | 0.06 | 0.02 | Exe (%): 100.00 | 112.86 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2025.1.1 (2025.1.1.20250418) /opt/intel/oneapi/compiler/2025.1/bin/compiler/clang --driver-mode=g++ --intel -D FFT_MKL -D FFT_MKL_THREADS -D LAMMPS_FFMPEG -D LAMMPS_GZIP -D LAMMPS_JPEG -D LAMMPS_MEMALIGN=64 -D... |
| ○Loop 15181 - basic_string.h:223-289 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►LAMMPS_NS::CommBrick::exchange() | exec | 0.23 | 0.00 | 0.12 | 0.01 | 0.08 | 0.00 | 256 | 0.05 | 0.02 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2025.1.1 (2025.1.1.20250418) /opt/intel/oneapi/compiler/2025.1/bin/compiler/clang --driver-mode=g++ --intel -D FFT_MKL -D FFT_MKL_THREADS -D LAMMPS_FFMPEG -D LAMMPS_GZIP -D LAMMPS_JPEG -D LAMMPS_MEMALIGN=64 -D... |
| ►Loop 7834 - comm_brick.cpp:698-758 - exec [...] | 0.23 | 0.00 | 0.14 | 0.00 | 0.08 | 0.00 | 7 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7836 - comm_brick.cpp:709-715 - exec | 0.23 | 0.23 | 0.12 | 0.12 | 0.08 | 0.08 | 256 | 0.05 | 0.02 | 0.00 | |||
| ○Loop 7835 - comm_brick.cpp:755-758 - exec | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 48 | 0.00 | 0.00 | 0.00 | |||
| ○MPID_Progress_wait | libmpi.so.12.0.0 | 0.20 | 0.20 | 0.12 | 0.12 | 0.07 | 0.07 | 256 | 0.05 | 0.02 | MPI (%): 100.00 | 0.00 | |
| ►LAMMPS_NS::DomainOMP::pbc() [clone .extracted.19] | exec | 0.20 | 0.00 | 0.12 | 0.00 | 0.07 | 0.00 | 256 | 0.05 | 0.02 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2025.1.1 (2025.1.1.20250418) /opt/intel/oneapi/compiler/2025.1/bin/compiler/clang --driver-mode=g++ --intel -D FFT_MKL -D FFT_MKL_THREADS -D LAMMPS_FFMPEG -D LAMMPS_GZIP -D LAMMPS_JPEG -D LAMMPS_MEMALIGN=64 -D... |
| ○Loop 5196 - domain_omp.cpp:56-57 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 5197 - domain_omp.cpp:56-57 - exec | 0.20 | 0.20 | 0.12 | 0.12 | 0.07 | 0.07 | 256 | 0.05 | 0.02 | 0.00 | |||
| ○I_MPI_memcpy_avx2 | libmpi.so.12.0.0 | 0.19 | 0.19 | 0.13 | 0.13 | 0.07 | 0.07 | 256 | 0.07 | 0.02 | MPI (%): 100.00 | 0.00 | |
| ►LAMMPS_NS::PairEAM::unpack_reverse_comm(int, int*, double*) | exec | 0.15 | 0.00 | 0.10 | 0.01 | 0.05 | 0.00 | 256 | 0.05 | 0.02 | Exe (%): 100.00 | 127.13 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2025.1.1 (2025.1.1.20250418) /opt/intel/oneapi/compiler/2025.1/bin/compiler/clang --driver-mode=g++ --intel -D FFT_MKL -D FFT_MKL_THREADS -D LAMMPS_FFMPEG -D LAMMPS_GZIP -D LAMMPS_JPEG -D LAMMPS_MEMALIGN=64 -D... |
| ○Loop 20950 - pair_eam.cpp:912-914 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 4 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 20951 - pair_eam.cpp:912-914 - exec | 0.15 | 0.15 | 0.10 | 0.10 | 0.05 | 0.05 | 256 | 0.05 | 0.02 | 127.14 | |||
| ○MPIDI_SHMI_progress | libmpi.so.12.0.0 | 0.13 | 0.13 | 0.09 | 0.09 | 0.05 | 0.05 | 256 | 0.04 | 0.01 | MPI (%): 100.00 | 0.00 | |
| ►LAMMPS_NS::AtomVec::unpack_border(int, int, double*) | exec | 0.12 | 0.00 | 0.08 | 0.01 | 0.04 | 0.00 | 256 | 0.04 | 0.01 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2025.1.1 (2025.1.1.20250418) /opt/intel/oneapi/compiler/2025.1/bin/compiler/clang --driver-mode=g++ --intel -D FFT_MKL -D FFT_MKL_THREADS -D LAMMPS_FFMPEG -D LAMMPS_GZIP -D LAMMPS_JPEG -D LAMMPS_MEMALIGN=64 -D... |
| ○Loop 7126 - atom_vec.cpp:1081-1082 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 7127 - atom_vec.cpp:1031-1072 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7136 - atom_vec.cpp:1050-1050 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 7137 - atom_vec.cpp:1031-1054 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7140 - atom_vec.cpp:1054-1054 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7139 - atom_vec.cpp:1054-1054 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7138 - atom_vec.cpp:1054-1054 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7135 - atom_vec.cpp:1050-1050 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7129 - atom_vec.cpp:1071-1072 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 7132 - atom_vec.cpp:1031-1063 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7134 - atom_vec.cpp:1063-1063 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7133 - atom_vec.cpp:1063-1063 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7128 - atom_vec.cpp:1071-1072 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7130 - atom_vec.cpp:1059-1059 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7131 - atom_vec.cpp:1063-1063 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7142 - atom_vec.cpp:1031-1031 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7141 - atom_vec.cpp:1033-1039 - exec [...] | 0.12 | 0.12 | 0.08 | 0.08 | 0.04 | 0.04 | 256 | 0.04 | 0.01 | 0.00 | |||
| ►LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | exec | 0.12 | 0.00 | 0.09 | 0.01 | 0.04 | 0.00 | 256 | 0.04 | 0.01 | Exe (%): 100.00 | 12.73 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2025.1.1 (2025.1.1.20250418) /opt/intel/oneapi/compiler/2025.1/bin/compiler/clang --driver-mode=g++ --intel -D FFT_MKL -D FFT_MKL_THREADS -D LAMMPS_FFMPEG -D LAMMPS_GZIP -D LAMMPS_JPEG -D LAMMPS_MEMALIGN=64 -D... |
| ►Loop 7090 - atom_vec.cpp:801-876 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7094 - atom_vec.cpp:854-856 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7095 - atom_vec.cpp:862-862 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7092 - atom_vec.cpp:874-876 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7091 - atom_vec.cpp:868-870 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 7101 - atom_vec.cpp:801-848 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7102 - atom_vec.cpp:848-848 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7104 - atom_vec.cpp:848-848 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7103 - atom_vec.cpp:848-848 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 7096 - atom_vec.cpp:801-862 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7098 - atom_vec.cpp:862-862 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7097 - atom_vec.cpp:862-862 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7093 - atom_vec.cpp:874-876 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7099 - atom_vec.cpp:840-842 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7100 - atom_vec.cpp:840-842 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7106 - atom_vec.cpp:821-828 - exec [...] | 0.02 | 0.02 | 0.04 | 0.04 | 0.01 | 0.01 | 181 | 0.02 | 0.01 | 86.19 | |||
| ○Loop 7089 - atom_vec.cpp:886-887 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7105 - atom_vec.cpp:802-809 - exec [...] | 0.10 | 0.10 | 0.07 | 0.07 | 0.04 | 0.04 | 256 | 0.04 | 0.01 | 0.00 | |||
| ►LAMMPS_NS::DomainOMP::pbc() [clone .extracted] | exec | 0.11 | 0.00 | 0.08 | 0.00 | 0.04 | 0.00 | 256 | 0.04 | 0.01 | Exe (%): 100.00 | 0.12 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2025.1.1 (2025.1.1.20250418) /opt/intel/oneapi/compiler/2025.1/bin/compiler/clang --driver-mode=g++ --intel -D FFT_MKL -D FFT_MKL_THREADS -D LAMMPS_FFMPEG -D LAMMPS_GZIP -D LAMMPS_JPEG -D LAMMPS_MEMALIGN=64 -D... |
| ○Loop 5195 - domain_omp.cpp:71-153 - exec | 0.11 | 0.11 | 0.08 | 0.08 | 0.04 | 0.04 | 256 | 0.04 | 0.01 | 0.12 | |||
| ►LAMMPS_NS::IntelBuffers<float, double>::fdotr_reduce_l5(int, int, int, int, double&, double&, double&, double&, double&, double&) | exec | 0.09 | 0.00 | 0.05 | 0.00 | 0.03 | 0.00 | 256 | 0.03 | 0.01 | Exe (%): 100.00 | 293.51 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2025.1.1 (2025.1.1.20250418) /opt/intel/oneapi/compiler/2025.1/bin/compiler/clang --driver-mode=g++ --intel -D FFT_MKL -D FFT_MKL_THREADS -D LAMMPS_FFMPEG -D LAMMPS_GZIP -D LAMMPS_JPEG -D LAMMPS_MEMALIGN=64 -D... |
| ○Loop 6122 - intel_buffers.cpp:624-624 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6123 - intel_buffers.cpp:624-624 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6134 - intel_buffers.cpp:624-624 - exec | 0.09 | 0.09 | 0.05 | 0.05 | 0.03 | 0.03 | 256 | 0.03 | 0.01 | 293.51 | |||
| ○Loop 6126 - intel_buffers.cpp:624-624 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6131 - intel_buffers.cpp:624-624 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6136 - intel_buffers.cpp:624-624 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6132 - intel_buffers.cpp:624-624 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6128 - intel_buffers.cpp:624-624 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6129 - intel_buffers.cpp:624-624 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6124 - intel_buffers.cpp:624-624 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6130 - intel_buffers.cpp:624-624 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6121 - intel_buffers.cpp:624-624 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6127 - intel_buffers.cpp:624-624 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6125 - intel_buffers.cpp:624-624 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6135 - intel_buffers.cpp:624-624 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 6133 - intel_buffers.cpp:624-624 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○impi_shm_heap_progress | libmpi.so.12.0.0 | 0.07 | 0.07 | 0.06 | 0.06 | 0.02 | 0.02 | 254 | 0.03 | 0.01 | MPI (%): 100.00 | 0.00 | |
| ○unknown_kernel_region | kernel | 0.07 | 0.00 | 0.05 | 0.00 | 0.02 | 0.00 | 253 | 0.03 | 0.01 | System (%): 78.83 MPI (%): 20.58 OMP (%): 0.59 | 15.43 | |
| ►LAMMPS_NS::PairEAMIntel::pack_forward_comm(int, int*, double*, int, int*) | exec | 0.07 | 0.00 | 0.05 | 0.01 | 0.02 | 0.00 | 253 | 0.03 | 0.01 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2025.1.1 (2025.1.1.20250418) /opt/intel/oneapi/compiler/2025.1/bin/compiler/clang --driver-mode=g++ --intel -D FFT_MKL -D FFT_MKL_THREADS -D LAMMPS_FFMPEG -D LAMMPS_GZIP -D LAMMPS_JPEG -D LAMMPS_MEMALIGN=64 -D... |
| ○Loop 31374 - pair_eam_intel.cpp:830-832 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 31372 - pair_eam_intel.cpp:830-832 - exec | 0.07 | 0.07 | 0.05 | 0.05 | 0.02 | 0.02 | 253 | 0.03 | 0.01 | 0.00 | |||
| ○Loop 31373 - pair_eam_intel.cpp:830-832 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○MPID_Progress_completion_count_get | libmpi.so.12.0.0 | 0.06 | 0.06 | 0.05 | 0.05 | 0.02 | 0.02 | 253 | 0.03 | 0.01 | MPI (%): 100.00 | 0.00 | |
| ►LAMMPS_NS::AtomVec::pack_exchange(int, double*) | exec | 0.06 | 0.06 | 0.06 | 0.06 | 0.02 | 0.02 | 255 | 0.03 | 0.01 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2025.1.1 (2025.1.1.20250418) /opt/intel/oneapi/compiler/2025.1/bin/compiler/clang --driver-mode=g++ --intel -D FFT_MKL -D FFT_MKL_THREADS -D LAMMPS_FFMPEG -D LAMMPS_GZIP -D LAMMPS_JPEG -D LAMMPS_MEMALIGN=64 -D... |
| ○Loop 7160 - atom_vec.cpp:1238-1239 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 7161 - atom_vec.cpp:1173-1229 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7163 - atom_vec.cpp:1211-1211 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7167 - atom_vec.cpp:1184-1184 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7164 - atom_vec.cpp:1202-1202 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7166 - atom_vec.cpp:1193-1193 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7162 - atom_vec.cpp:1193-1193 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7165 - atom_vec.cpp:1193-1193 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7168 - atom_vec.cpp:1184-1184 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 7169 - atom_vec.cpp:1184-1184 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►LAMMPS_NS::ComputeTemp::compute_scalar() | exec | 0.05 | 0.00 | 0.04 | 0.01 | 0.02 | 0.00 | 256 | 0.03 | 0.01 | Exe (%): 100.00 | 182.45 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2025.1.1 (2025.1.1.20250418) /opt/intel/oneapi/compiler/2025.1/bin/compiler/clang --driver-mode=g++ --intel -D FFT_MKL -D FFT_MKL_THREADS -D LAMMPS_FFMPEG -D LAMMPS_GZIP -D LAMMPS_JPEG -D LAMMPS_MEMALIGN=64 -D... |
| ○Loop 9521 - compute_temp.cpp:90-92 - exec | 0.05 | 0.05 | 0.04 | 0.04 | 0.02 | 0.02 | 256 | 0.03 | 0.01 | 182.43 | |||
| ○Loop 9520 - compute_temp.cpp:90-92 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 9519 - basic_string.h:223-289 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 9522 - compute_temp.cpp:86-88 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○MPIDI_SHMGR_Release_allreduce | libmpi.so.12.0.0 | 0.05 | 0.05 | 0.16 | 0.16 | 0.02 | 0.02 | 79 | 0.11 | 0.04 | MPI (%): 100.00 | 0.00 | |
| ►LAMMPS_NS::PairEAMIntel::unpack_forward_comm(int, int, double*) | exec | 0.05 | 0.00 | 0.05 | 0.00 | 0.02 | 0.00 | 247 | 0.03 | 0.01 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2025.1.1 (2025.1.1.20250418) /opt/intel/oneapi/compiler/2025.1/bin/compiler/clang --driver-mode=g++ --intel -D FFT_MKL -D FFT_MKL_THREADS -D LAMMPS_FFMPEG -D LAMMPS_GZIP -D LAMMPS_JPEG -D LAMMPS_MEMALIGN=64 -D... |
| ○Loop 31375 - pair_eam_intel.cpp:847-847 - exec | 0.05 | 0.05 | 0.05 | 0.05 | 0.02 | 0.02 | 247 | 0.03 | 0.01 | 0.00 | |||
| ○Loop 31378 - pair_eam_intel.cpp:847-847 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 31376 - pair_eam_intel.cpp:847-847 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 31377 - pair_eam_intel.cpp:847-847 - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►__intel_avx_rep_memcpy | exec | 0.04 | 0.04 | 0.04 | 0.04 | 0.01 | 0.01 | 243 | 0.02 | 0.01 | Memory (%): 100.00 | 0.64 | |
| ○Loop 32920 - - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 32921 - - exec | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○inflate_fast | libmpi.so.12.0.0 | 0.04 | 0.04 | 0.02 | 0.02 | 0.01 | 0.01 | 256 | 0.01 | 0.00 | MPI (%): 100.00 | 0.00 | |
| ○adler32_z | libmpi.so.12.0.0 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 256 | 0.01 | 0.00 | MPI (%): 100.00 | 0.00 | |
| ○MPIDU_Init_shm_barrier | libmpi.so.12.0.0 | 0.02 | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | 210 | 0.01 | 0.00 | MPI (%): 100.00 | 0.00 | |
| ○memcpy | libc.so.6 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 201 | 0.01 | 0.00 | MPI (%): 100.00 Memory (%): 0.00 | 0.00 | |
| ○LAMMPS_NS::RanPark::reset(int, double*) | exec | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 240 | 0.01 | 0.00 | Exe (%): 100.00 | 55.09 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2025.1.1 (2025.1.1.20250418) /opt/intel/oneapi/compiler/2025.1/bin/compiler/clang --driver-mode=g++ --intel -D FFT_MKL -D FFT_MKL_THREADS -D LAMMPS_FFMPEG -D LAMMPS_GZIP -D LAMMPS_JPEG -D LAMMPS_MEMALIGN=64 -D... |
| ○MPIDIG_send_target_msg_cb | libmpi.so.12.0.0 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 152 | 0.01 | 0.00 | MPI (%): 100.00 | 0.00 | |
| ►LAMMPS_NS::Verlet::run(int) | exec | 0.01 | 0.00 | 0.02 | 0.01 | 0.00 | 0.00 | 146 | 0.01 | 0.00 | Exe (%): 100.00 | 3.74 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2025.1.1 (2025.1.1.20250418) /opt/intel/oneapi/compiler/2025.1/bin/compiler/clang --driver-mode=g++ --intel -D FFT_MKL -D FFT_MKL_THREADS -D LAMMPS_FFMPEG -D LAMMPS_GZIP -D LAMMPS_JPEG -D LAMMPS_MEMALIGN=64 -D... |
| ○Loop 3308 - timer.h:54-102 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3306 - timer.h:54-102 - exec [...] | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 146 | 0.01 | 0.00 | 3.76 | |||
| ○Loop 3311 - timer.h:54-102 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3312 - timer.h:54-102 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3307 - timer.h:54-102 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3310 - timer.h:54-102 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3309 - timer.h:54-102 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3313 - timer.h:54-102 - exec [...] | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○MPIDIG_send_origin_cb | libmpi.so.12.0.0 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 135 | 0.01 | 0.00 | MPI (%): 100.00 | 0.00 | |
| ○__kmpc_end_serialized_parallel | libiomp5.so | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 138 | 0.01 | 0.00 | OMP (%): 100.00 | 0.00 | |
| ○_dl_rtld_di_serinfo | ld-linux-x86-64.so.2 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 153 | 0.01 | 0.00 | MPI (%): 50.53 OMP (%): 47.96 System (%): 1.51 | 0.00 | |
| ○unknown_function | [vdso] | 0.01 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 150 | 0.01 | 0.00 | Others (%): 99.46 MPI (%): 0.54 | 2.17 |