loading system configuration loading override configuration from /zhome/89/0/38697/mxtest/mctest/../mccodelib/mcxtrace-test/McXtrace_CPU_MPICC_KISS/mccode_config.json INFO: Using directory: "1" INFO: Using existing c-file: ./SOLEIL_PX2a.c INFO: Using existing binary: ./SOLEIL_PX2a.out INFO: === INFO: Using system default number of mpirun -np processes -------------------------------------------------------------------------- By default, for Open MPI 4.0 and later, infiniband ports on a device are not used by default. The intent is to use UCX for these devices. You can override this policy by setting the btl_openib_allow_ib MCA parameter to true. Local host: n-62-29-34 Local adapter: mlx4_0 Local port: 1 -------------------------------------------------------------------------- -------------------------------------------------------------------------- WARNING: There was an error initializing an OpenFabrics device. Local host: n-62-29-34 Local device: mlx4_0 -------------------------------------------------------------------------- Simulation 'SOLEIL_PX2a' (/zhome/89/0/38697/xTESTS/2022-12-01/McXtrace_CPU_MPICC_KISS_5e7/SOLEIL_PX2a/SOLEIL_PX2a.instr): running on 10 nodes (master is 'n-62-29-34', MPI version 3.1). [SOLEIL_PX2a] Initialize [SOLEIL_PX2a] Initialize [SOLEIL_PX2a] Initialize Opening input file '/zhome/89/0/38697/McXtrace/mcxtrace/3.x-dev/tools/Python/mxrun/../mccodelib/../../../data/Si.txt' (Table_Read_Offset) Opening input file '/zhome/89/0/38697/McXtrace/mcxtrace/3.x-dev/tools/Python/mxrun/../mccodelib/../../../data/FormFactors.txt' (Table_Read_Offset) Reusing input file 'Si.txt' (Table_Read_Offset) Reusing input file 'FormFactors.txt' (Table_Read_Offset) Opening input file '/zhome/89/0/38697/McXtrace/mcxtrace/3.x-dev/tools/Python/mxrun/../mccodelib/../../../data/Ir.dat' (Table_Read_Offset) [SOLEIL_PX2a] Initialize [SOLEIL_PX2a] Initialize [SOLEIL_PX2a] Initialize [SOLEIL_PX2a] Initialize [SOLEIL_PX2a] Initialize [SOLEIL_PX2a] Initialize [SOLEIL_PX2a] Initialize INFO (reflectivity-lib) reflectivity parameterization type: 'eth' Opening input file '/zhome/89/0/38697/McXtrace/mcxtrace/3.x-dev/tools/Python/mxrun/../mccodelib/../../../data/Rh.txt' (Table_Read_Offset) INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. Reusing input file 'Rh.txt' (Table_Read_Offset) INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. Single_crystal: Mo.lau structure a=3.147 b=3.147 c=3.147 aa=90 bb=90 cc=90 V0=31.1667 Single_crystal: sample: Read 1480 reflections from file 'Mo.lau' Single_crystal: sample: Vc=31.1667 [Angs] sigma_abs= (mu/rho)*4.96 [barn] sigma_inc=0.08 [barn] reflections=Mo.lau Single_crystal: Mo.lau structure a=3.147 b=3.147 c=3.147 aa=90 bb=90 cc=90 V0=31.1667 Single_crystal: Mo.lau structure a=3.147 b=3.147 c=3.147 aa=90 bb=90 cc=90 V0=31.1667 Single_crystal: Mo.lau structure a=3.147 b=3.147 c=3.147 aa=90 bb=90 cc=90 V0=31.1667 Single_crystal: sample: Read 1480 reflections from file 'Mo.lau' Single_crystal: sample: Vc=31.1667 [Angs] sigma_abs= (mu/rho)*4.96 [barn] sigma_inc=0.08 [barn] reflections=Mo.lau Single_crystal: Mo.lau structure a=3.147 b=3.147 c=3.147 aa=90 bb=90 cc=90 V0=31.1667 Single_crystal: Mo.lau structure a=3.147 b=3.147 c=3.147 aa=90 bb=90 cc=90 V0=31.1667 Single_crystal: Mo.lau structure a=3.147 b=3.147 c=3.147 aa=90 bb=90 cc=90 V0=31.1667 Single_crystal: sample: Read 1480 reflections from file 'Mo.lau' Single_crystal: sample: Vc=31.1667 [Angs] sigma_abs= (mu/rho)*4.96 [barn] sigma_inc=0.08 [barn] reflections=Mo.lau Single_crystal: sample: Read 1480 reflections from file 'Mo.lau' Single_crystal: sample: Vc=31.1667 [Angs] sigma_abs= (mu/rho)*4.96 [barn] sigma_inc=0.08 [barn] reflections=Mo.lau Single_crystal: sample: Read 1480 reflections from file 'Mo.lau' Single_crystal: sample: Vc=31.1667 [Angs] sigma_abs= (mu/rho)*4.96 [barn] sigma_inc=0.08 [barn] reflections=Mo.lau Single_crystal: sample: Read 1480 reflections from file 'Mo.lau' Single_crystal: sample: Vc=31.1667 [Angs] sigma_abs= (mu/rho)*4.96 [barn] sigma_inc=0.08 [barn] reflections=Mo.lau Single_crystal: sample: Read 1480 reflections from file 'Mo.lau' Single_crystal: sample: Vc=31.1667 [Angs] sigma_abs= (mu/rho)*4.96 [barn] sigma_inc=0.08 [barn] reflections=Mo.lau Single_crystal: Mo.lau structure a=3.147 b=3.147 c=3.147 aa=90 bb=90 cc=90 V0=31.1667 Single_crystal: Mo.lau structure a=3.147 b=3.147 c=3.147 aa=90 bb=90 cc=90 V0=31.1667 Single_crystal: sample: Read 1480 reflections from file 'Mo.lau' Single_crystal: sample: Vc=31.1667 [Angs] sigma_abs= (mu/rho)*4.96 [barn] sigma_inc=0.08 [barn] reflections=Mo.lau Single_crystal: Mo.lau structure a=3.147 b=3.147 c=3.147 aa=90 bb=90 cc=90 V0=31.1667 Single_crystal: sample: Read 1480 reflections from file 'Mo.lau' Single_crystal: sample: Vc=31.1667 [Angs] sigma_abs= (mu/rho)*4.96 [barn] sigma_inc=0.08 [barn] reflections=Mo.lau Single_crystal: sample: Read 1480 reflections from file 'Mo.lau' Single_crystal: sample: Vc=31.1667 [Angs] sigma_abs= (mu/rho)*4.96 [barn] sigma_inc=0.08 [barn] reflections=Mo.lau [n-62-29-34:20869] 9 more processes have sent help message help-mpi-btl-openib.txt / ib port not selected [n-62-29-34:20869] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages [n-62-29-34:20869] 9 more processes have sent help message help-mpi-btl-openib.txt / error in device init Trace ETA 1.18333 [min] % 15 Trace ETA 1.16667 [min] % 15 Trace ETA 1.18333 [min] % 15 Trace ETA 1.16667 [min] % 15 Trace ETA 1.18333 [min] % 15 Trace ETA 1.16667 [min] % 15 Trace ETA 1.18333 [min] % 15 Trace ETA 1.16667 [min] % 15 Trace ETA 1.16667 [min] % 15 Trace ETA 1.16667 [min] % 15 20 20 20 20 20 20 20 20 20 20 30 30 30 30 30 30 30 30 30 30 40 40 40 40 40 40 40 40 40 40 50 50 50 50 50 50 50 50 50 50 60 60 60 60 60 60 60 60 60 60 70 70 70 70 70 70 70 70 70 70 80 80 80 80 80 80 80 80 80 80 90 90 90 90 90 90 90 90 90 90 *** TRACE end *** Save [SOLEIL_PX2a] Detector: sample_monitor_I=7.67934e+10 sample_monitor_ERR=4.79963e+08 sample_monitor_N=4.99997e+07 "sample_monitor_1669861795.x_y" Finally [SOLEIL_PX2a: 1]. Time: 1.11667 [min] Finally [SOLEIL_PX2a: 1]. Time: 1.11667 [min] Finally [SOLEIL_PX2a: 1]. Time: 1.11667 [min] Finally [SOLEIL_PX2a: 1]. Time: 1.11667 [min] Detector: Eiger9M_I=26.6433 Eiger9M_ERR=0.938569 Eiger9M_N=1.75769e+06 "Eiger9M.dat" Finally [SOLEIL_PX2a: 1]. Time: 1.11667 [min] Finally [SOLEIL_PX2a: 1]. Time: 1.11667 [min] Finally [SOLEIL_PX2a: 1]. Time: 1.11667 [min] Finally [SOLEIL_PX2a: 1]. Time: 1.11667 [min] Finally [SOLEIL_PX2a: 1]. Time: 1.11667 [min] Finally [SOLEIL_PX2a: 1]. Time: 1.38333 [min] INFO: Placing instr file copy /zhome/89/0/38697/xTESTS/2022-12-01/McXtrace_CPU_MPICC_KISS_5e7/SOLEIL_PX2a/SOLEIL_PX2a.instr in dataset 1