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r0r1r2
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_processes111
number_nodes111
number_processes_per_node111
mpi_commandmpirun -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 10000 -deffnm icc<executable> mdrun -s ion_channel.tpr -nsteps 10000 -pin on -deffnm icc<executable> mdrun -s ion_channel.tpr -nsteps 10000 -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_handlerlinklinklink
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_varianttruetruetrue
decan_all_variantstruetruetrue
maximal_path_number444
included_areas{ },
{ },
{ },
is_sudo_availablefalsefalsefalse
keep_executable_locationtruetruefalse
lprof_params
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 = 52 ; },
},
__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 = 52 ; },
},
__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 = 52 ; },
},
__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 = 52 ; },
},
__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 = 52 ; },
},
__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 = 52 ; },
},
__number_processes = 64 ; },
},
scalability_referencemainmainmain
environment_variables{ { name = OMP_NUM_THREADS ; value = 52 ; },
},
{ { name = OMP_NUM_THREADS ; value = 52 ; },
},
{ { name = OMP_NUM_THREADS ; value = 52 ; },
},
script_variables{ },
{ },
{ },
thread_filter_threshold2%2%2%
object_coverage_threshold0.010.010.01
_is_loadedOV1_skx_icc_OMP52/shared/run_0/config.luaOV1_GROMACS_ZEN3_icc_OMP52/shared/run_0/config.luaOV1_G3E_armclang_SVE_OMP52/shared/run_0/config.lua
delay000
basebinarygmx_mpigmx_mpigmx_mpi
is_all_external_libraries_in_ccfalsefalsefalse
_scalability_bins{ },
{ },
{ },
ranges_count202020
#__scalability_referencetruetruetrue
repetitions313131
base_run_index0
__profile_starttruetruetrue
decan_threshold500500500
__maximal_path_numbertruetruetrue
outliers_count000
use_emonfalsefalsefalse
job_submission_threshold0s0s0s
__filtertruetruetrue
base_run_name1x521x521x52
bucket_threshold111
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
commentsGROMACS 2022.4 compiled with icc 2021.8 running on Skylake with 52 OMP threads, 10000 stepsGROMACS compiled with icc 2021.8 + OpenMPI, Zen 3, OV1, 10000 steps, 52 coresARM-clang 22.1 (SIMD=SVE), AWS G3 (Neoverse V1), 10000 steps, 52 cores
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_categoriestruetruetrue
hwc_reporting_cores111