INFO: Using directory: "4" INFO: Using existing c-file: ./Test_PowderN.c INFO: Using existing binary: ./Test_PowderN.out WARNING: Ignoring invalid parameter: "Test_PowderN.instr" 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-62-11-62 Local adapter: mlx5_0 Local port: 1 -------------------------------------------------------------------------- -------------------------------------------------------------------------- WARNING: There was an error initializing an OpenFabrics device. Local host: n-62-11-62 Local device: mlx5_0 -------------------------------------------------------------------------- Simulation 'Test_PowderN' (/zhome/89/0/38697/xTESTS/2022-06-01/McXtrace_CPU_MPICC_KISS_5e7/Test_PowderN/Test_PowderN.instr): running on 10 nodes (master is 'n-62-11-62', MPI version 3.1). [Test_PowderN] Initialize Opening input file '/zhome/89/0/38697/McXtrace/mcxtrace/3.x-dev/tools/Python/mxrun/../mccodelib/../../../data/LaB6_660b_AVID2.hkl' (Table_Read_Offset) Table from file 'LaB6_660b_AVID2.hkl' (block 1) is 1453 x 6 (x=1:23), constant step. interpolation: linear '# TITLE La1 B6 [Cubic, Centric (-1 at origin)];# a b ...' PowderN: Pow: Reading 1453 rows from LaB6_660b_AVID2.hkl PowderN: Pow: Powder file probably of type Crystallographica/Fullprof (lau) WARNING: but F2 unit is set to barns=1 (barns). Intensity might be 100 times too high. [Test_PowderN] Initialize [Test_PowderN] Initialize PowderN: Pow: Read 1453 reflections from file 'LaB6_660b_AVID2.hkl' PowderN: Pow: WARNING: You have requested statistics for incoherent scattering but not set a material datafile ('NULL') nor defined sigma_inc! [Test_PowderN] Initialize [Test_PowderN] Initialize [Test_PowderN] Initialize [Test_PowderN] Initialize [Test_PowderN] Initialize [Test_PowderN] Initialize [Test_PowderN] Initialize [n-62-11-62:07348] 9 more processes have sent help message help-mpi-btl-openib.txt / ib port not selected [n-62-11-62:07348] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages [n-62-11-62:07348] 9 more processes have sent help message help-mpi-btl-openib.txt / error in device init *** TRACE end *** Save [Test_PowderN] Detector: Sph_mon_I=7.94469e-10 Sph_mon_ERR=1.04438e-13 Sph_mon_N=1e+08 "Sphere.dat" Detector: detector2_I=7.88253e-10 detector2_ERR=1.04328e-13 detector2_N=9.10097e+07 "psd2.dat" Finally [Test_PowderN: 4]. Time: 6 [s] Finally [Test_PowderN: 4]. Time: 6 [s] Finally [Test_PowderN: 4]. Time: 6 [s] Finally [Test_PowderN: 4]. Time: 6 [s] Finally [Test_PowderN: 4]. Time: 6 [s] Finally [Test_PowderN: 4]. Time: 6 [s] Finally [Test_PowderN: 4]. Time: 6 [s] Finally [Test_PowderN: 4]. Time: 6 [s] Finally [Test_PowderN: 4]. Time: 6 [s] Finally [Test_PowderN: 4]. Time: 6 [s] INFO: Placing instr file copy /zhome/89/0/38697/xTESTS/2022-06-01/McXtrace_CPU_MPICC_KISS_5e7/Test_PowderN/Test_PowderN.instr in dataset 4 loading system configuration loading override configuration from /zhome/89/0/38697/mxtest/mctest/../mccodelib/mcxtrace-test/McXtrace_CPU_MPICC_KISS/mccode_config.json