Simulation 'Fluo_Diff' (Fluo_Diff.instr): running on 4 nodes (master is 're-grades-02', MPI version 3.1).
[Fluo_Diff] Initialize
[Fluo_Diff] Initialize
[Fluo_Diff] Initialize
Fluo_Diff: Energy 16.99 [keV] [Fluo_Diff] Initialize
 
 
 
 
./Fluo_Diff.c: INFO: Converting /var/www/html/data/diffraction/1000057.cif-farhie-20230928-151443/1000057.cif into F2(HKL) list /tmp/file2AEzK6
cif2hkl -o /tmp/file2AEzK6 --mode XRA /var/www/html/data/diffraction/1000057.cif-farhie-20230928-151443/1000057.cif
PowderN: Sample: ERROR: all 545 structure factors in file '/var/www/html/data/diffraction/1000057.cif-farhie-20230928-151443/1000057.cif' are null. Check the reflection list.
Table from file '/tmp/file2AEzK6' (block 1) is 545 x 6 (x=1:16), constant step. interpolation: linear
  '# TITLE  La1 B6 [Cubic, Centric (-1 at origin)];#        a         b        ...'
PowderN: Sample: Reading 545 rows from /var/www/html/data/diffraction/1000057.cif-farhie-20230928-151443/1000057.cif
PowderN: Sample: 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: Sample: reflection file /var/www/html/data/diffraction/1000057.cif-farhie-20230928-151443/1000057.cif is not valid.
ERROR    Please check file format.
PowderN: Sample: reflection file /var/www/html/data/diffraction/1000057.cif-farhie-20230928-151443/1000057.cif is not valid.
ERROR    Please check file format.
PowderN: Sample: reflection file /var/www/html/data/diffraction/1000057.cif-farhie-20230928-151443/1000057.cif is not valid.
ERROR    Please check file format.
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Primary job  terminated normally, but 1 process returned
a non-zero exit code. Per user-direction, the job has been aborted.
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# McXtrace 3.2 - Jul. 06, 2023: [pid 3842136] Signal 15 detected [proc 0] SIGTERM (Termination)
# Simulation: Fluo_Diff (Fluo_Diff.instr) 
# Breakpoint: [_Sample_init] component Sample=PowderN() INITIALISE [/usr/share/mcxtrace/3.2/tools/Python/mxrun/../mccodelib/../../../samples/PowderN.comp:684] 0.00 % (       0.0/10000000.0)
# Date:      Thu Sep 28 15:14:44 2023
# Started:   Thu Sep 28 15:14:44 2023
# McXtrace 3.2 - Jul. 06, 2023: Finishing simulation (save results and exit)

Save [Fluo_Diff]
--------------------------------------------------------------------------
mpirun detected that one or more processes exited with non-zero status, thus causing
the job to be terminated. The first process to do so was:

  Process name: [[57684,1],1]
  Exit code:    160
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