| r0 | r1 | r2 | |
|---|---|---|---|
| external_libraries | { 1 = /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 ; }, | { 1 = /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 ; }, | { 1 = /home/eoseret/GROMACS/build/armclang_2/lib/libgromacs_mpi.so.7 ; }, |
| number_processes | 1 | 1 | 1 |
| number_nodes | 1 | 1 | 1 |
| number_processes_per_node | 1 | 1 | 1 |
| mpi_command | mpirun -n <number_processes> | ccc_mprun -p milan-bxi -T 1200 -n <number_processes> -x -E --enable_perf -c <OMP_NUM_THREADS> | mpirun -n <number_processes> --bind-to core |
| run_command | <executable> mdrun -s ion_channel.tpr -nsteps 2000 -deffnm icc | <executable> mdrun -s ion_channel.tpr -nsteps 2000 -pin on -deffnm icc | <executable> mdrun -s ion_channel.tpr -nsteps 2000 -pin on -deffnm armclang |
| batch_script | |||
| batch_command | |||
| pinning_command | |||
| custom_categories | { { type = library ; value = libgromacs_mpi.so.7.0.0 ; }, }, | { { type = library ; value = libgromacs_mpi.so.7 ; }, }, | { { type = library ; value = libgromacs_mpi.so.7 ; }, }, |
| dataset | /home/eoseret/GROMACS/DATA/GROMACS_TestCaseA | ||
| dataset_handler | link | link | link |
| run_directory | <dataset> | . | /home/eoseret/GROMACS/DATA/GROMACS_TestCaseA |
| frequencies | { 1 = 0 ; }, | { 1 = 0 ; }, | { 1 = 0 ; }, |
| filter | { type = number ; nvprof = 1 ; ndecan = 1 ; }, | { type = number ; value = 1 ; }, | { type = number ; value = 10 ; }, |
| profile_start | { unit = none ; value = 0 ; }, | { unit = none ; value = 0 ; }, | { unit = none ; value = 0 ; }, |
| additional_hwc | { }, | { }, | { }, |
| excluded_areas | { }, | { }, | { }, |
| decan_multi_variant | true | true | true |
| decan_all_variants | true | true | true |
| maximal_path_number | 4 | 4 | 4 |
| included_areas | { }, | { }, | { }, |
| is_sudo_available | false | false | false |
| keep_executable_location | true | true | false |
| lprof_params | --collect-calls-info=off | ||
| lprof_post_process_params | { }, | { }, | { }, |
| vprof_params | |||
| decan_params | |||
| cqa_params | { }, | { }, | { }, |
| multiruns_params | { }, | { { binary = /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/bin/gmx_mpi ; name = 1x2 ; environment_variables = { { name = OMP_NUM_THREADS ; value = 2 ; }, }, }, { binary = /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/bin/gmx_mpi ; name = 1x4 ; environment_variables = { { name = OMP_NUM_THREADS ; value = 4 ; }, }, }, { binary = /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/bin/gmx_mpi ; name = 1x8 ; environment_variables = { { name = OMP_NUM_THREADS ; value = 8 ; }, }, }, { binary = /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/bin/gmx_mpi ; name = 1x16 ; environment_variables = { { name = OMP_NUM_THREADS ; value = 16 ; }, }, }, { binary = /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/bin/gmx_mpi ; name = 1x32 ; environment_variables = { { name = OMP_NUM_THREADS ; value = 32 ; }, }, }, { binary = /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/bin/gmx_mpi ; name = 1x64 ; environment_variables = { { name = OMP_NUM_THREADS ; value = 64 ; }, }, }, { binary = /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/bin/gmx_mpi ; name = 1x128 ; environment_variables = { { name = OMP_NUM_THREADS ; value = 128 ; }, }, }, }, | { { number_processes = 2 ; binary = /home/eoseret/GROMACS/build/armclang_2/bin/gmx_mpi ; number_processes_per_node = 2 ; __number_processes_per_node = 2 ; name = 2x1 ; environment_variables = { { name = OMP_NUM_THREADS ; value = 1 ; }, }, __number_processes = 2 ; }, { number_processes = 4 ; binary = /home/eoseret/GROMACS/build/armclang_2/bin/gmx_mpi ; number_processes_per_node = 4 ; __number_processes_per_node = 4 ; name = 4x1 ; environment_variables = { { name = OMP_NUM_THREADS ; value = 1 ; }, }, __number_processes = 4 ; }, { number_processes = 8 ; binary = /home/eoseret/GROMACS/build/armclang_2/bin/gmx_mpi ; number_processes_per_node = 8 ; __number_processes_per_node = 8 ; name = 8x1 ; environment_variables = { { name = OMP_NUM_THREADS ; value = 1 ; }, }, __number_processes = 8 ; }, { number_processes = 16 ; binary = /home/eoseret/GROMACS/build/armclang_2/bin/gmx_mpi ; number_processes_per_node = 16 ; __number_processes_per_node = 16 ; name = 16x1 ; environment_variables = { { name = OMP_NUM_THREADS ; value = 1 ; }, }, __number_processes = 16 ; }, { number_processes = 32 ; binary = /home/eoseret/GROMACS/build/armclang_2/bin/gmx_mpi ; number_processes_per_node = 32 ; __number_processes_per_node = 32 ; name = 32x1 ; environment_variables = { { name = OMP_NUM_THREADS ; value = 1 ; }, }, __number_processes = 32 ; }, { number_processes = 64 ; binary = /home/eoseret/GROMACS/build/armclang_2/bin/gmx_mpi ; number_processes_per_node = 64 ; __number_processes_per_node = 64 ; name = 64x1 ; environment_variables = { { name = OMP_NUM_THREADS ; value = 1 ; }, }, __number_processes = 64 ; }, }, |
| scalability_reference | main | main | main |
| environment_variables | { { name = OMP_NUM_THREADS ; value = 1 ; }, }, | { { name = OMP_NUM_THREADS ; value = 1 ; }, }, | { { name = OMP_NUM_THREADS ; value = 1 ; }, }, |
| script_variables | { }, | { }, | { }, |
| thread_filter_threshold | 2% | 2% | 2% |
| object_coverage_threshold | 0.01 | 0.01 | 0.01 |
| _is_loaded | OV1_skx_icc_OMP1/shared/run_0/config.lua | OV1_GROMACS_ZEN3_icc_OMP1/shared/run_0/config.lua | OV1_G3E_armclang_SVE_OMP1/shared/run_0/config.lua |
| delay | 0 | 0 | 0 |
| basebinary | gmx_mpi | gmx_mpi | gmx_mpi |
| is_all_external_libraries_in_cc | false | false | false |
| _scalability_bins | { }, | { }, | { }, |
| ranges_count | 20 | 20 | 20 |
| #__scalability_reference | true | true | true |
| repetitions | 31 | 31 | 31 |
| base_run_index | 0 | ||
| __profile_start | true | true | true |
| decan_threshold | 500 | 500 | 500 |
| __maximal_path_number | true | true | true |
| outliers_count | 0 | 0 | 0 |
| use_emon | false | false | false |
| job_submission_threshold | 0s | 0s | 0s |
| __filter | true | true | true |
| base_run_name | run_0 | 1x1 | 1x1 |
| bucket_threshold | 1 | 1 | 1 |
| filter_decan | { type = all ; }, | { type = all ; }, | { type = all ; }, |
| binary | /home/eoseret/GROMACS/build/icc/bin/gmx_mpi | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/bin/gmx_mpi | /home/eoseret/GROMACS/build/armclang_2/bin/gmx_mpi |
| comments | GROMACS 2022.4 compiled with icc 2021.8 running on Skylake with 1 OMP thread, 2000 steps | GROMACS compiled with icc 2021.8 + OpenMPI, Zen 3, OV1, 2000 steps, single core | ARM-clang 22.1 (SIMD=SVE), AWS G3 (Neoverse V1), 2000 steps, single core |
| localbinary | /home/eoseret/GROMACS/build/icc/bin/gmx_mpi | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/bin/gmx_mpi | /home/eoseret/GROMACS/build/armclang_2/bin/gmx_mpi |
| pinned_core | |||
| _is_custom_categories | true | true | true |
| hwc_reporting_cores | 1 | 1 | 1 |