running 15 mpi-ranks, on 1 nodes distrk: each k-point on 15 cores, 1 groups distr: one band on 1 cores, 15 groups vasp.6.4.1 05Apr23 (build Apr 16 2023 22:14:57) gamma-only MD_VERSION_INFO: Compiled 2023-04-16T20:44:05-UTC in mrdevlin:/home/medea/data/ build/vasp6.4.1/19212/x86_64/src/src/build/gam from svn 19212 This VASP executable licensed from Materials Design, Inc. POSCAR found type information on POSCAR C SiO H POSCAR found : 4 types and 321 ions scaLAPACK is switched off ----------------------------------------------------------------------------- | | | W W AA RRRRR N N II N N GGGG !!! | | W W A A R R NN N II NN N G G !!! | | W W A A R R N N N II N N N G !!! | | W WW W AAAAAA RRRRR N N N II N N N G GGG ! | | WW WW A A R R N NN II N NN G G | | W W A A R R N N II N N GGGG !!! | | | | For optimal performance we recommend to set | | NCORE = 2 up to number-of-cores-per-socket | | NCORE specifies how many cores store one orbital (NPAR=cpu/NCORE). | | This setting can greatly improve the performance of VASP for DFT. | | The default, NCORE=1 might be grossly inefficient on modern | | multi-core architectures or massively parallel machines. Do your | | own testing! More info at https://www.vasp.at/wiki/index.php/NCORE | | Unfortunately you need to use the default for GW and RPA | | calculations (for HF NCORE is supported but not extensively tested | | yet). | | | ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- | | | ----> ADVICE to this user running VASP <---- | | | | You have a (more or less) 'large supercell' and for larger cells it | | might be more efficient to use real-space projection operators. | | Therefore, try LREAL= Auto in the INCAR file. | | Mind: For very accurate calculation, you might also keep the | | reciprocal projection scheme (i.e. LREAL=.FALSE.). | | | ----------------------------------------------------------------------------- LDA part: xc-table for Pade appr. of Perdew Machine learning selected Setting communicators for machine learning Initializing machine learning =================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = PID 11441 RUNNING AT amd-2 = EXIT CODE: 9 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES =================================================================================== ***************************** Error running VASP parallel with MPI #!/bin/bash cd "/home/user/MD/TaskServer/Tasks/172.16.0.70-32000-task00043" export PATH="/home/user/MD/Linux-x86_64/IntelMPI5/bin:$PATH" export LD_LIBRARY_PATH="$LD_LIBRARY_PATH:/home/user/MD/Linux-x86_64/IntelMPI5/lib:/home/user/MD/TaskServer/Tools/vasp6.4.1/Linux-x86_64" "/home/user/MD/Linux-x86_64/IntelMPI5/bin/mpirun" -r ssh -np 15 "/home/user/MD/TaskServer/Tools/vasp6.4.1/Linux-x86_64/vasp_gam" forrtl: error (69): process interrupted (SIGINT) Image PC Routine Line Source vasp_gam 00000000078AF034 Unknown Unknown Unknown libpthread-2.31.s 000014789B8D98C0 Unknown Unknown Unknown vasp_gam 000000000044FE68 Unknown Unknown Unknown forrtl: error (69): process interrupted (SIGINT) Image PC Routine Line Source vasp_gam 00000000078AF034 Unknown Unknown Unknown libpthread-2.31.s 00001488B636B8C0 Unknown Unknown Unknown vasp_gam 000000000044FE68 Unknown Unknown Unknown forrtl: error (69): process interrupted (SIGINT) Image PC Routine Line Source vasp_gam 00000000078AF034 Unknown Unknown Unknown libpthread-2.31.s 000014AE288E48C0 Unknown Unknown Unknown vasp_gam 000000000044FE68 Unknown Unknown Unknown forrtl: error (69): process interrupted (SIGINT) Image PC Routine Line Source vasp_gam 00000000078AF034 Unknown Unknown Unknown libpthread-2.31.s 000014C6A8BDE8C0 Unknown Unknown Unknown vasp_gam 000000000044FE68 Unknown Unknown Unknown forrtl: error (69): process interrupted (SIGINT) Image PC Routine Line Source vasp_gam 00000000078AF034 Unknown Unknown Unknown libpthread-2.31.s 000014F26E97B8C0 Unknown Unknown Unknown vasp_gam 000000000044FE68 Unknown Unknown Unknown forrtl: error (69): process interrupted (SIGINT) Image PC Routine Line Source vasp_gam 00000000078AF034 Unknown Unknown Unknown libpthread-2.31.s 000014F790E6F8C0 Unknown Unknown Unknown vasp_gam 000000000044FE68 Unknown Unknown Unknown forrtl: error (69): process interrupted (SIGINT) Image PC Routine Line Source vasp_gam 00000000078AF034 Unknown Unknown Unknown libpthread-2.31.s 000014739183F8C0 Unknown Unknown Unknown vasp_gam 000000000044FE68 Unknown Unknown Unknown forrtl: error (69): process interrupted (SIGINT) Image PC Routine Line Source vasp_gam 00000000078AF034 Unknown Unknown Unknown libpthread-2.31.s 0000146E9D9CE8C0 Unknown Unknown Unknown vasp_gam 000000000044FE68 Unknown Unknown Unknown forrtl: error (69): process interrupted (SIGINT) Image PC Routine Line Source vasp_gam 00000000078AF034 Unknown Unknown Unknown libpthread-2.31.s 00001519B73288C0 Unknown Unknown Unknown vasp_gam 000000000044FE68 Unknown Unknown Unknown forrtl: error (69): process interrupted (SIGINT) Image PC Routine Line Source vasp_gam 00000000078AF034 Unknown Unknown Unknown libpthread-2.31.s 0000146D02AFE8C0 Unknown Unknown Unknown vasp_gam 000000000044FE68 Unknown Unknown Unknown forrtl: error (69): process interrupted (SIGINT) Image PC Routine Line Source vasp_gam 00000000078AF034 Unknown Unknown Unknown libpthread-2.31.s 00001475580B48C0 Unknown Unknown Unknown libc-2.31.so 000014755627A06A Unknown Unknown Unknown vasp_gam 00000000006B5B39 Unknown Unknown Unknown vasp_gam 00000000006A5B9D Unknown Unknown Unknown vasp_gam 000000000069C2BD Unknown Unknown Unknown vasp_gam 000000000076A176 Unknown Unknown Unknown vasp_gam 00000000007749D5 Unknown Unknown Unknown vasp_gam 0000000001231B8E Unknown Unknown Unknown vasp_gam 0000000001ED7BF2 Unknown Unknown Unknown vasp_gam 0000000000450EA2 Unknown Unknown Unknown libc-2.31.so 000014755612729D __libc_start_main Unknown Unknown vasp_gam 0000000000450D29 Unknown Unknown Unknown forrtl: error (69): process interrupted (SIGINT) Image PC Routine Line Source vasp_gam 00000000078AF034 Unknown Unknown Unknown libpthread-2.31.s 00001482A0A028C0 Unknown Unknown Unknown vasp_gam 000000000044FE68 Unknown Unknown Unknown forrtl: error (69): process interrupted (SIGINT) Image PC Routine Line Source vasp_gam 00000000078AF034 Unknown Unknown Unknown libpthread-2.31.s 00001457F06F08C0 Unknown Unknown Unknown libc-2.31.so 00001457EE8B606A Unknown Unknown Unknown vasp_gam 00000000006B5B39 Unknown Unknown Unknown vasp_gam 00000000006A5B9D Unknown Unknown Unknown vasp_gam 000000000069C2BD Unknown Unknown Unknown vasp_gam 000000000076A176 Unknown Unknown Unknown vasp_gam 00000000007749D5 Unknown Unknown Unknown vasp_gam 0000000001231B8E Unknown Unknown Unknown vasp_gam 0000000001ED7BF2 Unknown Unknown Unknown vasp_gam 0000000000450EA2 Unknown Unknown Unknown libc-2.31.so 00001457EE76329D __libc_start_main Unknown Unknown vasp_gam 0000000000450D29 Unknown Unknown Unknown forrtl: error (69): process interrupted (SIGINT) Image PC Routine Line Source vasp_gam 00000000078AF034 Unknown Unknown Unknown libpthread-2.31.s 000014F01C1BB8C0 Unknown Unknown Unknown libc-2.31.so 000014F01A38106A Unknown Unknown Unknown vasp_gam 00000000006B5B39 Unknown Unknown Unknown vasp_gam 00000000006A5B9D Unknown Unknown Unknown vasp_gam 000000000069C2BD Unknown Unknown Unknown vasp_gam 000000000076A176 Unknown Unknown Unknown vasp_gam 00000000007749D5 Unknown Unknown Unknown vasp_gam 0000000001231B8E Unknown Unknown Unknown vasp_gam 0000000001ED7BF2 Unknown Unknown Unknown vasp_gam 0000000000450EA2 Unknown Unknown Unknown libc-2.31.so 000014F01A22E29D __libc_start_main Unknown Unknown vasp_gam 0000000000450D29 Unknown Unknown Unknown *****************************