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-62-29-34 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 'Test_PowderN' (/zhome/89/0/38697/xTESTS/2022-03-01/McXtrace-1.x_CPU_MPICC_5e7/Test_PowderN/Test_PowderN.instr): running on 10 nodes (master is 'n-62-29-34', MPI version 3.1). [Test_PowderN] Initialize [Test_PowderN] Initialize PowderN: Pow Error reading material data from file . PowderN: Pow Error reading material data from file . [Test_PowderN] Initialize [Test_PowderN] Initialize [Test_PowderN] Initialize [Test_PowderN] Initialize Opening input file '/zhome/89/0/38697/McXtrace/mcxtrace/1.x-dev/tools/Python/mxrun/../mccodelib/../../../data/LaB6_660b_AVID2.hkl' (Table_Read_Offset) [Test_PowderN] Initialize [Test_PowderN] Initialize 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. 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 ('') nor defined sigma_inc! PowderN: Pow Error reading material data from file . PowderN: Pow Error reading material data from file . PowderN: Pow Error reading material data from file . PowderN: Pow Error reading material data from file . PowderN: Pow Error reading material data from file . PowderN: Pow Error reading material data from file . [Test_PowderN] Initialize PowderN: Pow Error reading material data from file . [Test_PowderN] Initialize PowderN: Pow Error reading material data from file . [n-62-29-34:18544] 9 more processes have sent help message help-mpi-btl-openib.txt / ib port not selected [n-62-29-34:18544] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages [n-62-29-34:18544] 9 more processes have sent help message help-mpi-btl-openib.txt / error in device init Trace ETA 41 [s] % 26 Trace ETA 37 [s] % Trace ETA 37 [s] % 29 29 Trace ETA 37 [s] % 29 Trace ETA 37 [s] % 29 Trace ETA 43 [s] % 25 Trace ETA 41 [s] % 26 Trace ETA 37 [s] % 29 Trace ETA 37 [s] % 29 Trace ETA 37 [s] % 29 39 39 39 39 39 39 39 36 36 35 PowderN: Pow: WARNING: Did not hit sample from inside (coh). ABSORB. 49 49 49 49 49 49 49 46 46 45 PowderN: Pow: WARNING: Did not hit sample from inside (coh). ABSORB. 59 59 59 59 59 59 59 56 56 55 69 69 69 69 69 69 69 66 66 65 79 79 79 79 79 79 79 76 PowderN: Pow: WARNING: Did not hit sample from inside (coh). ABSORB. 76 75 89 89 89 89 89 89 89 86 86 85 99 99 99 99 99 99 99 Finally [Test_PowderN: 7]. Time: 36 [s] Warning: 5.16456e+06 events were removed in Component[7] detector2=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Finally [Test_PowderN: 7]. Time: 36 [s] Warning: 5.1631e+06 events were removed in Component[7] detector2=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Finally [Test_PowderN: 7]. Time: 37 [s] Warning: 5.16707e+06 events were removed in Component[7] detector2=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Finally [Test_PowderN: 7]. Time: 37 [s] Warning: 5.1597e+06 events were removed in Component[7] detector2=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). 96 96 Finally [Test_PowderN: 7]. Time: 39 [s] Warning: 5.15318e+06 events were removed in Component[7] detector2=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). 95 Save [Test_PowderN] Finally [Test_PowderN: 7]. Time: 42 [s] Warning: 5.15761e+06 events were removed in Component[7] detector2=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Finally [Test_PowderN: 7]. Time: 42 [s] Warning: 5.15995e+06 events were removed in Component[7] detector2=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Detector: Sph_mon_I=7.94382e-10 Sph_mon_ERR=3.30239e-14 Sph_mon_N=1e+09 "Sphere.dat" Finally [Test_PowderN: 7]. Time: 42 [s] Warning: 5.15527e+06 events were removed in Component[7] detector2=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Finally [Test_PowderN: 7]. Time: 42 [s] Warning: 5.15166e+06 events were removed in Component[7] detector2=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Detector: detector2_I=7.88161e-10 detector2_ERR=3.2989e-14 detector2_N=9.09995e+08 "psd2.dat" Finally [Test_PowderN: 7]. Time: 42 [s] PowderN: Pow: Info: you may highly improve the computation efficiency by using SPLIT 144 COMPONENT Pow=PowderN(...) in the instrument description /zhome/89/0/38697/xTESTS/2022-03-01/McXtrace-1.x_CPU_MPICC_5e7/Test_PowderN/Test_PowderN.instr. Warning: 5.15384e+06 events were removed in Component[7] detector2=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). INFO: Placing instr file copy /zhome/89/0/38697/xTESTS/2022-03-01/McXtrace-1.x_CPU_MPICC_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-1.x_CPU_MPICC/mccode_config.json