INFO: Using directory: "7" 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-62-11-62:07562] 9 more processes have sent help message help-mpi-btl-openib.txt / ib port not selected [n-62-11-62:07562] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages [n-62-11-62:07562] 9 more processes have sent help message help-mpi-btl-openib.txt / error in device init Trace ETA 47 [s] % 23 Trace ETA 47 [s] % 23 Trace ETA 45 [s] % 24 Trace ETA 46 [s] % 23 Trace ETA 45 [s] % 23 Trace ETA 45 [s] % 24 Trace ETA 45 [s] % 23 Trace ETA 45 [s] % 23 Trace ETA 45 [s] % 23 Trace ETA 45 [s] % 24 30 30 30 30 30 30 30 30 30 30 40 40 40 40 40 40 40 40 40 40 PowderN: Pow: WARNING: Did not hit sample from inside (coh). ABSORB. 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 PowderN: Pow: WARNING: Did not hit sample from inside (coh). ABSORB. 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 [Test_PowderN] Detector: Sph_mon_I=7.94417e-10 Sph_mon_ERR=3.30207e-14 Sph_mon_N=1e+09 "Sphere.dat" Finally [Test_PowderN: 7]. Time: 45 [s] Finally [Test_PowderN: 7]. Time: 45 [s] Finally [Test_PowderN: 7]. Time: 45 [s] Finally [Test_PowderN: 7]. Time: 45 [s] Finally [Test_PowderN: 7]. Time: 45 [s] Finally [Test_PowderN: 7]. Time: 45 [s] Finally [Test_PowderN: 7]. Time: 45 [s] Finally [Test_PowderN: 7]. Time: 45 [s] Finally [Test_PowderN: 7]. Time: 45 [s] Detector: detector2_I=7.88203e-10 detector2_ERR=3.29858e-14 detector2_N=9.1009e+08 "psd2.dat" Finally [Test_PowderN: 7]. Time: 45 [s] PowderN: Pow: Error messages were repeated 1 times with absorbed xrays. PowderN: Pow: Info: you may highly improve the computation efficiency by using SPLIT 160 COMPONENT Pow=PowderN(...) in the instrument description /zhome/89/0/38697/xTESTS/2022-06-01/McXtrace_CPU_MPICC_KISS_5e7/Test_PowderN/Test_PowderN.instr. 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 7 loading system configuration loading override configuration from /zhome/89/0/38697/mxtest/mctest/../mccodelib/mcxtrace-test/McXtrace_CPU_MPICC_KISS/mccode_config.json