Simulation 'Fluo_Diff' (Fluo_Diff.instr): running on 32 nodes (master is 're-grades-02', MPI version 3.1). [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize Fluo_Diff: Energy 16.99 [keV] [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif # McXtrace 3.2 - Jul. 06, 2023: [pid 685072] Signal 11 detected [proc 25] SIGSEGV (Mem Error) # 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: Mon May 12 15:11:52 2025 # Started: Mon May 12 15:11:52 2025 # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). # Last I/O Error: No such file or directory ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif # McXtrace 3.2 - Jul. 06, 2023: [pid 685053] Signal 11 detected [proc 19] SIGSEGV (Mem Error) # 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: Mon May 12 15:11:52 2025 # Started: Mon May 12 15:11:52 2025 # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). # Last I/O Error: No such file or directory ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif # McXtrace 3.2 - Jul. 06, 2023: [pid 685075] Signal 11 detected [proc 26] SIGSEGV (Mem Error) # 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: Mon May 12 15:11:52 2025 # Started: Mon May 12 15:11:52 2025 # Last I/O Error: No such file or directory # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif # McXtrace 3.2 - Jul. 06, 2023: [pid 685069] Signal 11 detected [proc 20] SIGSEGV (Mem Error) # 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) # McXtrace 3.2 - Jul. 06, 2023: [pid 685022] Signal 11 detected [proc 6] SIGSEGV (Mem Error) # 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: Mon May 12 15:11:52 2025 # Started: Mon May 12 15:11:52 2025 # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). # McXtrace 3.2 - Jul. 06, 2023: [pid 685019] Signal 11 detected [proc 1] SIGSEGV (Mem Error) # 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) ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif # Date: Mon May 12 15:11:52 2025 # Started: Mon May 12 15:11:52 2025 # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). # McXtrace 3.2 - Jul. 06, 2023: [pid 685056] Signal 11 detected [proc 21] SIGSEGV (Mem Error) # 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: Mon May 12 15:11:52 2025 # Started: Mon May 12 15:11:52 2025 # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). # Date: Mon May 12 15:11:52 2025 # Started: Mon May 12 15:11:52 2025 # Last I/O Error: No such file or directory # Last I/O Error: No such file or directory # Last I/O Error: No such file or directory # Last I/O Error: No such file or directory # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). # McXtrace 3.2 - Jul. 06, 2023: [pid 685066] Signal 11 detected [proc 23] SIGSEGV (Mem Error) # 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: Mon May 12 15:11:52 2025 # Started: Mon May 12 15:11:52 2025 # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). # Last I/O Error: No such file or directory # McXtrace 3.2 - Jul. 06, 2023: [pid 685024] Signal 11 detected [proc 4] SIGSEGV (Mem Error) # 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) # McXtrace 3.2 - Jul. 06, 2023: [pid 685047] Signal 11 detected [proc 17] SIGSEGV (Mem Error) # Simulation: Fluo_Diff (Fluo_Diff.instr) # Date: Mon May 12 15:11:52 2025 # Started: Mon May 12 15:11:52 2025 # 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) # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). # Last I/O Error: No such file or directory ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif # Date: Mon May 12 15:11:52 2025 # Started: Mon May 12 15:11:52 2025 # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). # Last I/O Error: No such file or directory ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif # McXtrace 3.2 - Jul. 06, 2023: [pid 685102] Signal 11 detected [proc 28] SIGSEGV (Mem Error) # 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: Mon May 12 15:11:52 2025 # Started: Mon May 12 15:11:52 2025 # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). # Last I/O Error: No such file or directory ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif # McXtrace 3.2 - Jul. 06, 2023: [pid 685063] Signal 11 detected [proc 22] SIGSEGV (Mem Error) # Simulation: Fluo_Diff (Fluo_Diff.instr) ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif # McXtrace 3.2 - Jul. 06, 2023: [pid 685027] Signal 11 detected [proc 9] SIGSEGV (Mem Error) # 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: Mon May 12 15:11:52 2025 # 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: Mon May 12 15:11:52 2025 # Started: Mon May 12 15:11:52 2025 ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif # Started: Mon May 12 15:11:52 2025 # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif # Last I/O Error: No such file or directory # Last I/O Error: No such file or directory ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif -------------------------------------------------------------------------- Primary job terminated normally, but 1 process returned a non-zero exit code. Per user-direction, the job has been aborted. -------------------------------------------------------------------------- # Last I/O Error: No such file or directory # Last I/O Error: No such file or directory # Last I/O Error: No such file or directory # Last I/O Error: No such file or directory # Last I/O Error: No such file or directory # Last I/O Error: No such file or directory # Last I/O Error: No such file or directory # Last I/O Error: No such file or directory # Last I/O Error: No such file or directory # Last I/O Error: No such file or directory # Last I/O Error: No such file or directory # Last I/O Error: No such file or directory # Last I/O Error: No such file or directory # Last I/O Error: No such file or directory # Last I/O Error: No such file or directory # Last I/O Error: No such file or directory # Last I/O Error: No such file or directory # Last I/O Error: No such file or directory # Last I/O Error: No such file or directory # McXtrace 3.2 - Jul. 06, 2023: [pid 685081] Signal 11 detected [proc 27] SIGSEGV (Mem Error) # 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: Mon May 12 15:11:52 2025 # Started: Mon May 12 15:11:52 2025 # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif # McXtrace 3.2 - Jul. 06, 2023: [pid 685099] Signal 11 detected [proc 29] SIGSEGV (Mem Error) # 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: Mon May 12 15:11:52 2025 # Started: Mon May 12 15:11:52 2025 # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). # McXtrace 3.2 - Jul. 06, 2023: [pid 685044] Signal 11 detected [proc 12] SIGSEGV (Mem Error) # 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: Mon May 12 15:11:52 2025 # Started: Mon May 12 15:11:52 2025 # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). # McXtrace 3.2 - Jul. 06, 2023: [pid 685060] Signal 11 detected [proc 16] SIGSEGV (Mem Error) # 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: Mon May 12 15:11:52 2025 # Started: Mon May 12 15:11:52 2025 # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). # McXtrace 3.2 - Jul. 06, 2023: [pid 685021] Signal 11 detected [proc 7] SIGSEGV (Mem Error) # 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: Mon May 12 15:11:52 2025 # Started: Mon May 12 15:11:52 2025 # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). # McXtrace 3.2 - Jul. 06, 2023: [pid 685040] Signal 11 detected [proc 15] SIGSEGV (Mem Error) # 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: Mon May 12 15:11:52 2025 # Started: Mon May 12 15:11:52 2025 # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). # McXtrace 3.2 - Jul. 06, 2023: [pid 685036] Signal 11 detected [proc 13] SIGSEGV (Mem Error) # 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: Mon May 12 15:11:52 2025 # Started: Mon May 12 15:11:52 2025 # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). # McXtrace 3.2 - Jul. 06, 2023: [pid 685028] Signal 11 detected [proc 11] SIGSEGV (Mem Error) # 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: Mon May 12 15:11:52 2025 # Started: Mon May 12 15:11:52 2025 # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). # McXtrace 3.2 - Jul. 06, 2023: [pid 685025] Signal 11 detected [proc 10] SIGSEGV (Mem Error) # 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: Mon May 12 15:11:52 2025 # Started: Mon May 12 15:11:52 2025 # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). # McXtrace 3.2 - Jul. 06, 2023: [pid 685031] Signal 11 detected [proc 8] SIGSEGV (Mem Error) # 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: Mon May 12 15:11:52 2025 # Started: Mon May 12 15:11:52 2025 # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). # McXtrace 3.2 - Jul. 06, 2023: [pid 685098] Signal 11 detected [proc 24] SIGSEGV (Mem Error) # 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: Mon May 12 15:11:52 2025 # Started: Mon May 12 15:11:52 2025 # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1000052.cif-farhie-20250512-151151/1000052.cif # McXtrace 3.2 - Jul. 06, 2023: [pid 685101] Signal 11 detected [proc 31] SIGSEGV (Mem Error) # 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: Mon May 12 15:11:52 2025 # Started: Mon May 12 15:11:52 2025 # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). # McXtrace 3.2 - Jul. 06, 2023: [pid 685023] Signal 11 detected [proc 5] SIGSEGV (Mem Error) # 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: Mon May 12 15:11:52 2025 # Started: Mon May 12 15:11:52 2025 # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). # McXtrace 3.2 - Jul. 06, 2023: [pid 685020] Signal 11 detected [proc 0] SIGSEGV (Mem Error) # 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: Mon May 12 15:11:52 2025 # Started: Mon May 12 15:11:52 2025 # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). # McXtrace 3.2 - Jul. 06, 2023: [pid 685018] Signal 11 detected [proc 2] SIGSEGV (Mem Error) # 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: Mon May 12 15:11:52 2025 # Started: Mon May 12 15:11:52 2025 # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). # McXtrace 3.2 - Jul. 06, 2023: [pid 685017] Signal 11 detected [proc 3] SIGSEGV (Mem Error) # 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: Mon May 12 15:11:52 2025 # Started: Mon May 12 15:11:52 2025 # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). # McXtrace 3.2 - Jul. 06, 2023: [pid 685049] Signal 11 detected [proc 18] SIGSEGV (Mem Error) # 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: Mon May 12 15:11:52 2025 # Started: Mon May 12 15:11:52 2025 # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). # McXtrace 3.2 - Jul. 06, 2023: [pid 685100] Signal 11 detected [proc 30] SIGSEGV (Mem Error) # 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: Mon May 12 15:11:52 2025 # Started: Mon May 12 15:11:52 2025 # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). # McXtrace 3.2 - Jul. 06, 2023: [pid 685034] Signal 11 detected [proc 14] SIGSEGV (Mem Error) # 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: Mon May 12 15:11:52 2025 # Started: Mon May 12 15:11:52 2025 # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). -------------------------------------------------------------------------- mpirun noticed that process rank 25 with PID 0 on node re-grades-02 exited on signal 3 (Quit). --------------------------------------------------------------------------