Doing 'scl enable...' Job user is SLURM_JOB_USER=milias User's job is SLURM_JOB_NAME=Si_surf has assigned ID SLURM_JOBID=2040 This job was submitted from the computer SLURM_SUBMIT_HOST=login.grid.umb.sk and from the home directory: SLURM_SUBMIT_DIR=/home/milias/Work/open-collection/theoretical_chemistry/software_runs/quantum-espresso/runs/silicon/Si_slab It is running on the cluster compute node: SLURM_CLUSTER_NAME=gridbb Job is employing SLURM_JOB_NUM_NODES=1 node/nodes: SLURM_JOB_NODELIST=comp11 The job requests SLURM_CPUS_ON_NODE=12 CPU per task. Running on host comp11.grid.umb.sk Time is Sat Jun 12 21:23:26 CEST 2021 My PATH=/home/milias/bin/openmpi-4.0.1_suites/openmpi-4.0.1_Intel14_GNU6.3g++/bin:/home/milias/bin/openmpi-4.0.1_suites/openmpi-4.0.1_Intel14_GNU6.3g++/bin:/home/milias/bin/cmake/cmake-3.15.2-Linux-x86_64/bin:/mnt/apps/pgi/linux86-64/13.10/bin:/mnt/apps/intel/composer_xe_2013_sp1.1.106/bin/intel64:/mnt/apps/intel/composer_xe_2013_sp1.1.106/mpirt/bin/intel64:/mnt/apps/intel/composer_xe_2013_sp1.1.106/bin/intel64:/mnt/apps/intel/composer_xe_2013_sp1.1.106/bin/intel64_mic:/mnt/apps/intel/composer_xe_2013_sp1.1.106/debugger/gui/intel64:/home/milias/Work/udocker_tool:/opt/rh/rh-python35/root/usr/bin:/opt/rh/devtoolset-9/root/usr/bin:/mnt/apps/intel/composer_xe_2013_sp1.1.106/bin/intel64:/mnt/apps/intel/composer_xe_2013_sp1.1.106/mpirt/bin/intel64:/mnt/apps/intel/composer_xe_2013_sp1.1.106/debugger/gdb/intel64_mic/py27/bin:/mnt/apps/intel/composer_xe_2013_sp1.1.106/debugger/gdb/intel64/py27/bin:/mnt/apps/intel/composer_xe_2013_sp1.1.106/bin/intel64:/mnt/apps/intel/composer_xe_2013_sp1.1.106/bin/intel64_mic:/mnt/apps/intel/composer_xe_2013_sp1.1.106/debugger/gui/intel64:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:. My LD_LIBRARY_PATH=/home/milias/bin/openmpi-4.0.1_suites/openmpi-4.0.1_Intel14_GNU6.3g++/lib:/home/milias/bin/openmpi-4.0.1_suites/openmpi-4.0.1_Intel14_GNU6.3g++/lib:/mnt/apps/intel/composer_xe_2013_sp1.1.106/compiler/lib/intel64:/mnt/apps/intel/composer_xe_2013_sp1.1.106/mkl/lib/intel64:/mnt/apps/intel/composer_xe_2013_sp1.1.106/compiler/lib/intel64:/mnt/apps/intel/composer_xe_2013_sp1.1.106/mpirt/lib/intel64:/mnt/apps/intel/composer_xe_2013_sp1.1.106/ipp/../compiler/lib/intel64:/mnt/apps/intel/composer_xe_2013_sp1.1.106/ipp/lib/intel64:/mnt/apps/intel/composer_xe_2013_sp1.1.106/compiler/lib/intel64:/mnt/apps/intel/composer_xe_2013_sp1.1.106/mkl/lib/intel64:/mnt/apps/intel/composer_xe_2013_sp1.1.106/tbb/lib/intel64/gcc4.1:/opt/rh/rh-python35/root/usr/lib64:/opt/rh/devtoolset-9/root/usr/lib64:/opt/rh/devtoolset-9/root/usr/lib:/opt/rh/devtoolset-9/root/usr/lib64/dyninst:/opt/rh/devtoolset-9/root/usr/lib/dyninst:/opt/rh/devtoolset-9/root/usr/lib64:/opt/rh/devtoolset-9/root/usr/lib:/mnt/apps/intel/composer_xe_2013_sp1.1.106/compiler/lib/intel64:/mnt/apps/intel/composer_xe_2013_sp1.1.106/mpirt/lib/intel64:/mnt/apps/intel/composer_xe_2013_sp1.1.106/ipp/../compiler/lib/intel64:/mnt/apps/intel/composer_xe_2013_sp1.1.106/ipp/lib/intel64:/mnt/apps/intel/composer_xe_2013_sp1.1.106/compiler/lib/intel64:/mnt/apps/intel/composer_xe_2013_sp1.1.106/mkl/lib/intel64:/mnt/apps/intel/composer_xe_2013_sp1.1.106/tbb/lib/intel64/gcc4.4 The node's CPU model name : Intel(R) Xeon(R) CPU X5670 @ 2.93GHz This node has 12 CPUs available. (i) This node has SLURM_CPUS_ON_NODE=12 CPUs allocated for SLURM calculations. The TOTAL memory at the node (in GB); free -t -g total used free shared buff/cache available Mem: 47 1 39 2 6 42 Swap: 0 0 0 Total: 47 1 39 Dependencies of QE main executable, ldd /home/milias/Work/qch/software/quantum-espresso/qe-6.7/bin/pw.x: linux-vdso.so.1 => (0x00007ffe509da000) libmkl_scalapack_lp64.so => /mnt/apps/intel/composer_xe_2013_sp1.1.106/mkl/lib/intel64/libmkl_scalapack_lp64.so (0x00007f21a2c82000) libmkl_intel_lp64.so => /mnt/apps/intel/composer_xe_2013_sp1.1.106/mkl/lib/intel64/libmkl_intel_lp64.so (0x00007f21a253e000) libmkl_sequential.so => /mnt/apps/intel/composer_xe_2013_sp1.1.106/mkl/lib/intel64/libmkl_sequential.so (0x00007f21a1e7b000) libmkl_core.so => /mnt/apps/intel/composer_xe_2013_sp1.1.106/mkl/lib/intel64/libmkl_core.so (0x00007f21a07bd000) libmpi_usempif08.so.40 => /home/milias/bin/openmpi-4.0.1_suites/openmpi-4.0.1_Intel14_GNU6.3g++/lib/libmpi_usempif08.so.40 (0x00007f21a058a000) libmpi_usempi_ignore_tkr.so.40 => /home/milias/bin/openmpi-4.0.1_suites/openmpi-4.0.1_Intel14_GNU6.3g++/lib/libmpi_usempi_ignore_tkr.so.40 (0x00007f21a037f000) libmpi_mpifh.so.40 => /home/milias/bin/openmpi-4.0.1_suites/openmpi-4.0.1_Intel14_GNU6.3g++/lib/libmpi_mpifh.so.40 (0x00007f21a011a000) libmpi.so.40 => /home/milias/bin/openmpi-4.0.1_suites/openmpi-4.0.1_Intel14_GNU6.3g++/lib/libmpi.so.40 (0x00007f219fdce000) libm.so.6 => /lib64/libm.so.6 (0x00007f219facc000) libpthread.so.0 => /lib64/libpthread.so.0 (0x00007f219f8b0000) libc.so.6 => /lib64/libc.so.6 (0x00007f219f4e2000) libgcc_s.so.1 => /lib64/libgcc_s.so.1 (0x00007f219f2cc000) libdl.so.2 => /lib64/libdl.so.2 (0x00007f219f0c8000) libopen-rte.so.40 => /home/milias/bin/openmpi-4.0.1_suites/openmpi-4.0.1_Intel14_GNU6.3g++/lib/libopen-rte.so.40 (0x00007f219edee000) libopen-pal.so.40 => /home/milias/bin/openmpi-4.0.1_suites/openmpi-4.0.1_Intel14_GNU6.3g++/lib/libopen-pal.so.40 (0x00007f219eaa9000) librt.so.1 => /lib64/librt.so.1 (0x00007f219e8a1000) libutil.so.1 => /lib64/libutil.so.1 (0x00007f219e69e000) libz.so.1 => /lib64/libz.so.1 (0x00007f219e488000) libifport.so.5 => /mnt/apps/intel/composer_xe_2013_sp1.1.106/compiler/lib/intel64/libifport.so.5 (0x00007f219e259000) libifcore.so.5 => /mnt/apps/intel/composer_xe_2013_sp1.1.106/compiler/lib/intel64/libifcore.so.5 (0x00007f219df19000) libimf.so => /mnt/apps/intel/composer_xe_2013_sp1.1.106/compiler/lib/intel64/libimf.so (0x00007f219da52000) libintlc.so.5 => /mnt/apps/intel/composer_xe_2013_sp1.1.106/compiler/lib/intel64/libintlc.so.5 (0x00007f219d7fc000) libsvml.so => /mnt/apps/intel/composer_xe_2013_sp1.1.106/compiler/lib/intel64/libsvml.so (0x00007f219cc05000) libifcoremt.so.5 => /mnt/apps/intel/composer_xe_2013_sp1.1.106/compiler/lib/intel64/libifcoremt.so.5 (0x00007f219c897000) libirng.so => /mnt/apps/intel/composer_xe_2013_sp1.1.106/compiler/lib/intel64/libirng.so (0x00007f219c690000) /lib64/ld-linux-x86-64.so.2 (0x00007f21a3554000) Python -v :Python 2.7.5 mpirun ? which mpirun = /home/milias/bin/openmpi-4.0.1_suites/openmpi-4.0.1_Intel14_GNU6.3g++/bin/mpirun mpirun --version mpirun (Open MPI) 4.0.1 Report bugs to http://www.open-mpi.org/community/help/ Current directory where this SLURM job is running /home/milias/Work/open-collection/theoretical_chemistry/software_runs/quantum-espresso/runs/silicon/Si_slab It has the disk space of (df -h) : Filesystem Size Used Avail Use% Mounted on stor2:/mnt/stor1/home 19T 6.1T 13T 34% /home forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pw.x 0000000000FED1C9 Unknown Unknown Unknown pw.x 0000000000FEBB40 Unknown Unknown Unknown pw.x 0000000000F85472 Unknown Unknown Unknown pw.x 0000000000F14183 Unknown Unknown Unknown pw.x 0000000000F1B37B Unknown Unknown Unknown libpthread.so.0 00007F5DFCA55630 Unknown Unknown Unknown pw.x 0000000000B2187A qes_init_module_m 1672 qes_init_module.f90 pw.x 0000000000A44ABA qexsd_input_mp_qe 194 qexsd_input.f90 pw.x 0000000000598AA4 pw_init_qexsd_inp 432 pw_init_qexsd_input.f90 pw.x 00000000004D43C1 iosys_ 1680 input.f90 pw.x 00000000005C5617 run_pwscf_ 93 run_pwscf.f90 pw.x 000000000040FCCD MAIN__ 106 pwscf.f90 pw.x 000000000040FAF6 Unknown Unknown Unknown libc.so.6 00007F5DFC69A555 Unknown Unknown Unknown pw.x 000000000040F9E9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pw.x 0000000000FED1C9 Unknown Unknown Unknown pw.x 0000000000FEBB40 Unknown Unknown Unknown pw.x 0000000000F85472 Unknown Unknown Unknown pw.x 0000000000F14183 Unknown Unknown Unknown pw.x 0000000000F1B37B Unknown Unknown Unknown libpthread.so.0 00007F7C3DE34630 Unknown Unknown Unknown pw.x 0000000000B2187A qes_init_module_m 1672 qes_init_module.f90 pw.x 0000000000A44ABA qexsd_input_mp_qe 194 qexsd_input.f90 pw.x 0000000000598AA4 pw_init_qexsd_inp 432 pw_init_qexsd_input.f90 pw.x 00000000004D43C1 iosys_ 1680 input.f90 pw.x 00000000005C5617 run_pwscf_ 93 run_pwscf.f90 pw.x 000000000040FCCD MAIN__ 106 pwscf.f90 pw.x 000000000040FAF6 Unknown Unknown Unknown libc.so.6 00007F7C3DA79555 Unknown Unknown Unknown pw.x 000000000040F9E9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pw.x 0000000000FED1C9 Unknown Unknown Unknown pw.x 0000000000FEBB40 Unknown Unknown Unknown pw.x 0000000000F85472 Unknown Unknown Unknown pw.x 0000000000F14183 Unknown Unknown Unknown pw.x 0000000000F1B37B Unknown Unknown Unknown libpthread.so.0 00007F9F097BA630 Unknown Unknown Unknown pw.x 0000000000B2187A qes_init_module_m 1672 qes_init_module.f90 pw.x 0000000000A44ABA qexsd_input_mp_qe 194 qexsd_input.f90 pw.x 0000000000598AA4 pw_init_qexsd_inp 432 pw_init_qexsd_input.f90 pw.x 00000000004D43C1 iosys_ 1680 input.f90 pw.x 00000000005C5617 run_pwscf_ 93 run_pwscf.f90 pw.x 000000000040FCCD MAIN__ 106 pwscf.f90 pw.x 000000000040FAF6 Unknown Unknown Unknown libc.so.6 00007F9F093FF555 Unknown Unknown Unknown pw.x 000000000040F9E9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pw.x 0000000000FED1C9 Unknown Unknown Unknown pw.x 0000000000FEBB40 Unknown Unknown Unknown pw.x 0000000000F85472 Unknown Unknown Unknown pw.x 0000000000F14183 Unknown Unknown Unknown pw.x 0000000000F1B37B Unknown Unknown Unknown libpthread.so.0 00007FCE209D2630 Unknown Unknown Unknown pw.x 0000000000B2187A qes_init_module_m 1672 qes_init_module.f90 pw.x 0000000000A44ABA qexsd_input_mp_qe 194 qexsd_input.f90 pw.x 0000000000598AA4 pw_init_qexsd_inp 432 pw_init_qexsd_input.f90 pw.x 00000000004D43C1 iosys_ 1680 input.f90 pw.x 00000000005C5617 run_pwscf_ 93 run_pwscf.f90 pw.x 000000000040FCCD MAIN__ 106 pwscf.f90 pw.x 000000000040FAF6 Unknown Unknown Unknown libc.so.6 00007FCE20617555 Unknown Unknown Unknown pw.x 000000000040F9E9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pw.x 0000000000FED1C9 Unknown Unknown Unknown pw.x 0000000000FEBB40 Unknown Unknown Unknown pw.x 0000000000F85472 Unknown Unknown Unknown pw.x 0000000000F14183 Unknown Unknown Unknown pw.x 0000000000F1B37B Unknown Unknown Unknown libpthread.so.0 00007FB87F0EB630 Unknown Unknown Unknown pw.x 0000000000B2187A qes_init_module_m 1672 qes_init_module.f90 pw.x 0000000000A44ABA qexsd_input_mp_qe 194 qexsd_input.f90 pw.x 0000000000598AA4 pw_init_qexsd_inp 432 pw_init_qexsd_input.f90 pw.x 00000000004D43C1 iosys_ 1680 input.f90 pw.x 00000000005C5617 run_pwscf_ 93 run_pwscf.f90 pw.x 000000000040FCCD MAIN__ 106 pwscf.f90 pw.x 000000000040FAF6 Unknown Unknown Unknown libc.so.6 00007FB87ED30555 Unknown Unknown Unknown pw.x 000000000040F9E9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pw.x 0000000000FED1C9 Unknown Unknown Unknown pw.x 0000000000FEBB40 Unknown Unknown Unknown pw.x 0000000000F85472 Unknown Unknown Unknown pw.x 0000000000F14183 Unknown Unknown Unknown pw.x 0000000000F1B37B Unknown Unknown Unknown libpthread.so.0 00007FB744502630 Unknown Unknown Unknown pw.x 0000000000B2187A qes_init_module_m 1672 qes_init_module.f90 pw.x 0000000000A44ABA qexsd_input_mp_qe 194 qexsd_input.f90 pw.x 0000000000598AA4 pw_init_qexsd_inp 432 pw_init_qexsd_input.f90 pw.x 00000000004D43C1 iosys_ 1680 input.f90 pw.x 00000000005C5617 run_pwscf_ 93 run_pwscf.f90 pw.x 000000000040FCCD MAIN__ 106 pwscf.f90 pw.x 000000000040FAF6 Unknown Unknown Unknown libc.so.6 00007FB744147555 Unknown Unknown Unknown pw.x 000000000040F9E9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pw.x 0000000000FED1C9 Unknown Unknown Unknown pw.x 0000000000FEBB40 Unknown Unknown Unknown pw.x 0000000000F85472 Unknown Unknown Unknown pw.x 0000000000F14183 Unknown Unknown Unknown pw.x 0000000000F1B37B Unknown Unknown Unknown libpthread.so.0 00007F06D3449630 Unknown Unknown Unknown pw.x 0000000000B2187A qes_init_module_m 1672 qes_init_module.f90 pw.x 0000000000A44ABA qexsd_input_mp_qe 194 qexsd_input.f90 pw.x 0000000000598AA4 pw_init_qexsd_inp 432 pw_init_qexsd_input.f90 pw.x 00000000004D43C1 iosys_ 1680 input.f90 pw.x 00000000005C5617 run_pwscf_ 93 run_pwscf.f90 pw.x 000000000040FCCD MAIN__ 106 pwscf.f90 pw.x 000000000040FAF6 Unknown Unknown Unknown libc.so.6 00007F06D308E555 Unknown Unknown Unknown pw.x 000000000040F9E9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pw.x 0000000000FED1C9 Unknown Unknown Unknown pw.x 0000000000FEBB40 Unknown Unknown Unknown pw.x 0000000000F85472 Unknown Unknown Unknown pw.x 0000000000F14183 Unknown Unknown Unknown pw.x 0000000000F1B37B Unknown Unknown Unknown libpthread.so.0 00007F8E68E9F630 Unknown Unknown Unknown pw.x 0000000000B2187A qes_init_module_m 1672 qes_init_module.f90 pw.x 0000000000A44ABA qexsd_input_mp_qe 194 qexsd_input.f90 pw.x 0000000000598AA4 pw_init_qexsd_inp 432 pw_init_qexsd_input.f90 pw.x 00000000004D43C1 iosys_ 1680 input.f90 pw.x 00000000005C5617 run_pwscf_ 93 run_pwscf.f90 pw.x 000000000040FCCD MAIN__ 106 pwscf.f90 pw.x 000000000040FAF6 Unknown Unknown Unknown libc.so.6 00007F8E68AE4555 Unknown Unknown Unknown pw.x 000000000040F9E9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pw.x 0000000000FED1C9 Unknown Unknown Unknown pw.x 0000000000FEBB40 Unknown Unknown Unknown pw.x 0000000000F85472 Unknown Unknown Unknown pw.x 0000000000F14183 Unknown Unknown Unknown pw.x 0000000000F1B37B Unknown Unknown Unknown libpthread.so.0 00007F5CE8ACC630 Unknown Unknown Unknown pw.x 0000000000B2187A qes_init_module_m 1672 qes_init_module.f90 pw.x 0000000000A44ABA qexsd_input_mp_qe 194 qexsd_input.f90 pw.x 0000000000598AA4 pw_init_qexsd_inp 432 pw_init_qexsd_input.f90 pw.x 00000000004D43C1 iosys_ 1680 input.f90 pw.x 00000000005C5617 run_pwscf_ 93 run_pwscf.f90 pw.x 000000000040FCCD MAIN__ 106 pwscf.f90 pw.x 000000000040FAF6 Unknown Unknown Unknown libc.so.6 00007F5CE8711555 Unknown Unknown Unknown pw.x 000000000040F9E9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pw.x 0000000000FED1C9 Unknown Unknown Unknown pw.x 0000000000FEBB40 Unknown Unknown Unknown pw.x 0000000000F85472 Unknown Unknown Unknown pw.x 0000000000F14183 Unknown Unknown Unknown pw.x 0000000000F1B37B Unknown Unknown Unknown libpthread.so.0 00007F0CB24B6630 Unknown Unknown Unknown pw.x 0000000000B2187A qes_init_module_m 1672 qes_init_module.f90 pw.x 0000000000A44ABA qexsd_input_mp_qe 194 qexsd_input.f90 pw.x 0000000000598AA4 pw_init_qexsd_inp 432 pw_init_qexsd_input.f90 pw.x 00000000004D43C1 iosys_ 1680 input.f90 pw.x 00000000005C5617 run_pwscf_ 93 run_pwscf.f90 pw.x 000000000040FCCD MAIN__ 106 pwscf.f90 pw.x 000000000040FAF6 Unknown Unknown Unknown libc.so.6 00007F0CB20FB555 Unknown Unknown Unknown pw.x 000000000040F9E9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pw.x 0000000000FED1C9 Unknown Unknown Unknown pw.x 0000000000FEBB40 Unknown Unknown Unknown pw.x 0000000000F85472 Unknown Unknown Unknown pw.x 0000000000F14183 Unknown Unknown Unknown pw.x 0000000000F1B37B Unknown Unknown Unknown libpthread.so.0 00007FCA26F9A630 Unknown Unknown Unknown pw.x 0000000000B2187A qes_init_module_m 1672 qes_init_module.f90 pw.x 0000000000A44ABA qexsd_input_mp_qe 194 qexsd_input.f90 pw.x 0000000000598AA4 pw_init_qexsd_inp 432 pw_init_qexsd_input.f90 pw.x 00000000004D43C1 iosys_ 1680 input.f90 pw.x 00000000005C5617 run_pwscf_ 93 run_pwscf.f90 pw.x 000000000040FCCD MAIN__ 106 pwscf.f90 pw.x 000000000040FAF6 Unknown Unknown Unknown libc.so.6 00007FCA26BDF555 Unknown Unknown Unknown pw.x 000000000040F9E9 Unknown Unknown Unknown -------------------------------------------------------------------------- Primary job terminated normally, but 1 process returned a non-zero exit code. Per user-direction, the job has been aborted. -------------------------------------------------------------------------- forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pw.x 0000000000FED1C9 Unknown Unknown Unknown pw.x 0000000000FEBB40 Unknown Unknown Unknown pw.x 0000000000F85472 Unknown Unknown Unknown pw.x 0000000000F14183 Unknown Unknown Unknown pw.x 0000000000F1B37B Unknown Unknown Unknown libpthread.so.0 00007FC157A6D630 Unknown Unknown Unknown pw.x 0000000000B2187A qes_init_module_m 1672 qes_init_module.f90 pw.x 0000000000A44ABA qexsd_input_mp_qe 194 qexsd_input.f90 pw.x 0000000000598AA4 pw_init_qexsd_inp 432 pw_init_qexsd_input.f90 pw.x 00000000004D43C1 iosys_ 1680 input.f90 pw.x 00000000005C5617 run_pwscf_ 93 run_pwscf.f90 pw.x 000000000040FCCD MAIN__ 106 pwscf.f90 pw.x 000000000040FAF6 Unknown Unknown Unknown libc.so.6 00007FC1576B2555 Unknown Unknown Unknown pw.x 000000000040F9E9 Unknown Unknown Unknown -------------------------------------------------------------------------- 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: [[31816,1],2] Exit code: 174 --------------------------------------------------------------------------