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: Energy 16.99 [keV] [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 WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif # McXtrace 3.2 - Jul. 06, 2023: [pid 671224] 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: Tue May 13 12:26:27 2025 # Started: Tue May 13 12:26:27 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 671136] 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) # McXtrace 3.2 - Jul. 06, 2023: [pid 671184] Signal 11 detected [proc 22] 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/1010962.cif-farhie-20250513-122626/1010962.cif # Date: Tue May 13 12:26:27 2025 # Started: Tue May 13 12:26:27 2025 ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif # Date: Tue May 13 12:26:27 2025 # Started: Tue May 13 12:26:27 2025 # McXtrace 3.2 - Jul. 06, 2023: [pid 671143] 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: Simulation stop (abort). # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). # Last I/O Error: No such file or directory # Last I/O Error: No such file or directory # Date: Tue May 13 12:26:27 2025 # Started: Tue May 13 12:26:27 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 671193] 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: Tue May 13 12:26:27 2025 # Started: Tue May 13 12:26:27 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/1010962.cif-farhie-20250513-122626/1010962.cif ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif # McXtrace 3.2 - Jul. 06, 2023: [pid 671139] 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) # McXtrace 3.2 - Jul. 06, 2023: [pid 671199] 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: Tue May 13 12:26:27 2025 # Started: Tue May 13 12:26:27 2025 # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif # Date: Tue May 13 12:26:27 2025 # Started: Tue May 13 12:26:27 2025 # Last I/O Error: No such file or directory # 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/1010962.cif-farhie-20250513-122626/1010962.cif # McXtrace 3.2 - Jul. 06, 2023: [pid 671186] 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 671152] 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: Tue May 13 12:26:27 2025 # Started: Tue May 13 12:26:27 2025 # McXtrace 3.2 - Jul. 06, 2023: [pid 671140] 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: Tue May 13 12:26:27 2025 # Started: Tue May 13 12:26:27 2025 # Date: Tue May 13 12:26:27 2025 # Started: Tue May 13 12:26:27 2025 # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). # 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 WARNING: cif2hkl: Invalid element o-2 -> O in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif # McXtrace 3.2 - Jul. 06, 2023: [pid 671155] 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: Tue May 13 12:26:27 2025 # Started: Tue May 13 12:26:27 2025 ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif # 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/1010962.cif-farhie-20250513-122626/1010962.cif ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif # McXtrace 3.2 - Jul. 06, 2023: [pid 671206] 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: Tue May 13 12:26:27 2025 # Started: Tue May 13 12:26:27 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/1010962.cif-farhie-20250513-122626/1010962.cif ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif # McXtrace 3.2 - Jul. 06, 2023: [pid 671144] 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: Tue May 13 12:26:27 2025 # Started: Tue May 13 12:26:27 2025 # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif # Last I/O Error: No such file or directory ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif # McXtrace 3.2 - Jul. 06, 2023: [pid 671174] 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: Tue May 13 12:26:27 2025 # Started: Tue May 13 12:26:27 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 671167] 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: Tue May 13 12:26:27 2025 # Started: Tue May 13 12:26:27 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 671162] 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: Tue May 13 12:26:27 2025 # Last I/O Error: No such file or directory # Started: Tue May 13 12:26:27 2025 # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). # McXtrace 3.2 - Jul. 06, 2023: [pid 671189] 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) # McXtrace 3.2 - Jul. 06, 2023: [pid 671146] Signal 11 detected [proc 11] SIGSEGV (Mem Error) # Simulation: Fluo_Diff (Fluo_Diff.instr) # Date: Tue May 13 12:26:27 2025 # Started: Tue May 13 12:26:27 2025 # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). # 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) # Last I/O Error: No such file or directory # Date: Tue May 13 12:26:27 2025 # Started: Tue May 13 12:26:27 2025 # McXtrace 3.2 - Jul. 06, 2023: [pid 671181] 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) # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). # Last I/O Error: No such file or directory # Last I/O Error: No such file or directory # Date: Tue May 13 12:26:27 2025 # Started: Tue May 13 12:26:27 2025 # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). # McXtrace 3.2 - Jul. 06, 2023: [pid 671159] 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: Tue May 13 12:26:27 2025 # Started: Tue May 13 12:26:27 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 671196] 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: Tue May 13 12:26:27 2025 # Started: Tue May 13 12:26:27 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/1010962.cif-farhie-20250513-122626/1010962.cif # McXtrace 3.2 - Jul. 06, 2023: [pid 671165] 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) # McXtrace 3.2 - Jul. 06, 2023: [pid 671179] Signal 11 detected [proc 17] 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: Tue May 13 12:26:27 2025 # Started: Tue May 13 12:26:27 2025 # Date: Tue May 13 12:26:27 2025 # Started: Tue May 13 12:26:27 2025 # McXtrace 3.2 - Jul. 06, 2023: [pid 671148] 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: Tue May 13 12:26:27 2025 # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). # 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 671202] 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) # Started: Tue May 13 12:26:27 2025 # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). # Date: Tue May 13 12:26:27 2025 # Started: Tue May 13 12:26:27 2025 # Last I/O Error: No such file or directory # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). -------------------------------------------------------------------------- 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 # McXtrace 3.2 - Jul. 06, 2023: [pid 671225] 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: Tue May 13 12:26:27 2025 # Started: Tue May 13 12:26:27 2025 # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). # McXtrace 3.2 - Jul. 06, 2023: [pid 671142] 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: Tue May 13 12:26:27 2025 # Started: Tue May 13 12:26:27 2025 # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). # McXtrace 3.2 - Jul. 06, 2023: [pid 671138] 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) # Date: Tue May 13 12:26:27 2025 # Started: Tue May 13 12:26:27 2025 # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). # McXtrace 3.2 - Jul. 06, 2023: [pid 671141] 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: Tue May 13 12:26:27 2025 # Started: Tue May 13 12:26:27 2025 # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). # McXtrace 3.2 - Jul. 06, 2023: [pid 671137] 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: Tue May 13 12:26:27 2025 # Started: Tue May 13 12:26:27 2025 # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). # McXtrace 3.2 - Jul. 06, 2023: [pid 671223] 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: Tue May 13 12:26:27 2025 # Started: Tue May 13 12:26:27 2025 # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). ERROR: cif2hkl: The Species o was not found in /var/www/html/data/diffraction/1010962.cif-farhie-20250513-122626/1010962.cif # McXtrace 3.2 - Jul. 06, 2023: [pid 671171] 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: Tue May 13 12:26:27 2025 # Started: Tue May 13 12:26:27 2025 # McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort). -------------------------------------------------------------------------- mpirun noticed that process rank 30 with PID 0 on node re-grades-02 exited on signal 3 (Quit). --------------------------------------------------------------------------