vsap--科研

bjobs

moudle availe

which ifort

rm -f output 37676048

bsub vaspjob.sh

bjobs

more output_37676051

[xgw_tongyh@login1 gz]$ more output_423776749
output_423776749: No such file or directory
[xgw_tongyh@login1 gz]$ more output_42376749
[0] MPI startup(): I_MPI_LSF_USE_COLLECTIVE_LAUNCH environment variable is not supported.
[0] MPI startup(): Similar variables:
 I_MPI_HYDRA_COLLECTIVE_LAUNCH
[0] MPI startup(): To check the list of supported variables, use the impi_info utility or refer to https://software.intel.com/en
-us/mpi-library/documentation/get-started.
 running on    8 total cores
 distrk:  each k-point on    8 cores,    1 groups
 distr:  one band on    2 cores,    4 groups
 using from now: INCAR     
 vasp.5.4.4.18Apr17-6-g9f103f2a35 (build Jan 10 2018 16:02:37) complex          
  
 POSCAR found type information on POSCAR  Bi Se
 POSCAR found :  2 types and       5 ions
 scaLAPACK will be used
 LDA part: xc-table for Pade appr. of Perdew
 WARNING: stress and forces are not correct
 POSCAR, INCAR and KPOINTS ok, starting setup
 FFT: planning ...
 WAVECAR not read
 WARNING: chargedensity file is incomplete
 ERROR: charge density could not be read from file CHGCAR for ICHARG>10
 ERROR: charge density could not be read from file CHGCAR for ICHARG>10
 ERROR: charge density could not be read from file CHGCAR for ICHARG>10
 ERROR: charge density could not be read from file CHGCAR for ICHARG>10
 ERROR: charge density could not be read from file CHGCAR for ICHARG>10
 ERROR: charge density could not be read from file CHGCAR for ICHARG>10
 ERROR: charge density could not be read from file CHGCAR for ICHARG>10
 ERROR: charge density could not be read from file CHGCAR for ICHARG>10
------------------------------------------------------------
Sender: LSF System <lsfadmin@r001>
Subject: Job 42376749: <vaspjob> in cluster <hpc> Done
Job <vaspjob> was submitted from host <login1> by user <xgw_tongyh> in cluster <hpc> at Wed Feb  8 22:06:57 2023
--More--(58%)

检验输出output，outcar

备份信息-创建输出文件建

kpointsbangs

理解