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merge repository xmuhpc-dotfiles

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This commit is contained in:
陈浩南 2024-05-07 12:51:38 +08:00
parent 87a8e7eb84
commit ec85e19bb1
11 changed files with 293 additions and 19 deletions
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3
devices/jykang.xmuhpc/.bash_logout Normal file
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if [ -n "${SSH_AUTH_SOCK-}" ]; then
hpcstat logout
fi

3
devices/jykang.xmuhpc/.bash_profile Normal file
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if [ -f ~/.bashrc ]; then
. ~/.bashrc
fi

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devices/jykang.xmuhpc/.bashrc Normal file
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# This is really FOLLISH but it works
if [ -z "${BASHRC_SOURCED-}" ]; then
if [[ $TERM == chn_unset_ls_colors* ]]; then
export TERM=${TERM#*:}
export CHN_LS_USE_COLOR=1
fi
if [[ $TERM == chn_cd* ]]; then
export TERM=${TERM#*:}
cd ~/${TERM%%:*}
export TERM=${TERM#*:}
fi
if [[ $TERM == hpcstat_subaccount* ]]; then
export TERM=${TERM#*:}
export HPCSTAT_SUBACCOUNT=${TERM%%:*}
export TERM=${TERM#*:}
fi
if [[ $TERM == chn_debug* ]]; then
export TERM=${TERM#*:}
export CHN_DEBUG=1
fi
fi
if [ -f /etc/bashrc ]; then
. /etc/bashrc
fi
if [ -z "${BASHRC_SOURCED-}" ]; then
export BASHRC_SOURCED=1
export PATH=$PATH:$HOME/bin:$HOME/linwei/chn/software/scripts
# script in ~/linwei/chn/software/hpcstat should have higher priority
if [ -n "${SSH_AUTH_SOCK-}" ]; then
export PATH=$HOME/linwei/chn/software/hpcstat/bin:$PATH
export HPCSTAT_DATADIR=$HOME/linwei/chn/software/hpcstat/var/lib/hpcstat
export HPCSTAT_SHAREDIR=$HOME/linwei/chn/software/hpcstat/share/hpcstat
export HPCSTAT_SSH_BINDIR=$HOME/linwei/chn/software/hpcstat/bin
export HPCSTAT_BSUB=/opt/ibm/lsfsuite/lsf/10.1/linux2.6-glibc2.3-x86_64/bin/bsub
hpcstat login
if [ "$?" -ne 0 ]; then
exit 1
fi
fi
# check if there exists non-interative login without ssh
if [ -z "${SSH_CONNECTION-}" ]; then
echo "Non-interactive login detected" >> $HOME/linwei/chn/log
fi
fi
[ -n "$CHN_LS_USE_COLOR" ] && alias ls="ls --color=auto"

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devices/jykang.xmuhpc/.ssh/authorized_keys Normal file
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ssh-rsa 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 zem@xmupc1
ssh-rsa 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 00@xmuhpc
ssh-rsa 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 01@xmuhpc
ssh-rsa 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 02@xmuhpc
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ssh-ed25519 AAAAC3NzaC1lZDI1NTE5AAAAIJRWge2+B1Et03n/B4ALBcAnjvtWPPmcFAoIlLP8oFkB hpcstat

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devices/jykang.xmuhpc/.vaspkit Normal file
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# cp how_to_set_environment_variables ~/.vaspkit and modify the ~/.vaspkit file based on the settings in your supercomputer!
# All environment variables are case sensitive.
VASP5 = .TRUE. # .TRUE. or .FALSE.; Set .FALSE. if you are using vasp.4.x
LDA_PATH = /data/gpfs01/jykang/linwei/chn/software/vaspkit-1.4.1/POTCAR/PAW_LDA
PBE_PATH = /data/gpfs01/jykang/linwei/chn/software/vaspkit-1.4.1/POTCAR/PAW_PBE
GGA_PATH = /data/gpfs01/jykang/linwei/chn/software/vaspkit-1.4.1/POTCAR/PAW_PW91
VASPKIT_UTILITIES_PATH = /data/gpfs01/jykang/linwei/chn/software/vaspkit-1.4.1/utilities
PYTHON_BIN = /data/gpfs01/jykang/linwei/chn/software/scripts/chn_python3.sh
POTCAR_TYPE = PBE # PBE, PW91 or LDA; Set PBE if you want to make PBE-POTCAR file
GW_POTCAR = .FALSE. # .TRUE. or .FALSE.; For example, H_GW, O_GW will be chose when POTCAR_GW set to .TRUE.
RECOMMENDED_POTCAR = .TRUE. # .TRUE. or .FALSE.; The recommended PAW potential will be chose when RECOMMENDED_POTCAR set to .TRUE.
SET_FERMI_ENERGY_ZERO = .TRUE. # .TRUE. or .FALSE.; The Fermi Energy will be set to zero eV when SET_FERMI_ENERGY_ZERO set to .TRUE.
SET_MINI_INCAR = .FALSE. # .TRUE. or .FALSE.; A simplified INCAR will be written when MINI_INCAR set to .TRUE.
USER_DEFINED_INCAR = .FALSE. # .TRUE. or .FALSE.; whether to use embedded INCAR templates or user defined INCAR templates
WRITE_SELECTIVE_DYNAMICS = .FALSE. # .TRUE. or .FALSE.; the selective dymanics set will be forced to write when SET_SELECTIVE_DYNAMICS_MODE set to .TRUE.
GET_DOS_FROM_HYBRID_BAND = .FASLE. # .TRUE. or .FALSE.; whether to calculate DOS using optimized tetrahedron method in the hybrid band strucutre calculations
ADVANCED_USER = .TRUE. # .TRUE. or .FALSE.; Please fill in your settings in the block 'USER_DEFINED' if you want vaspkit to integrate your own scripts in the 'UTILITIES' file.
SET_INCAR_WRITE_MODE = OVERRIDE # OVERRIDE, APPEND, BACK-UP-OLD,BACK-UP-NEW; "Customize INCAR File" whether to override existing or appending existing INCAR/backup existing INCAR to INCAR.old && write into INCAR/write into INCAR.new
APPLY_SCISSOR_CORRECTION = .FALSE. # .TRUE. or .FALSE.; whether to rigidly shift of the conduction band with respect to the valence band of nonmagnetic semiconductors to matches with that of the experimental, HSE or GW value (default: .FALSE)
APPLY_PHS_CORRECTION = .FALSE. # .TRUE. or .FALSE.; whether to make PHS correction during linear optical calculations. More details are given in Comput. Mater. Sci. 172 (2020) 109315
NORMALIZE_ORBITAL_WEIGHTS = .FALSE. # .TRUE. or .FALSE.; whether to normalize orbital-projected weights in each state (default: .FALSE.)
REORIENTATE_LATTICE_VECTORS = .FALSE. # .TRUE. or .FALSE.; reorientate lattice vectors when build supercell or heterojunction or not (default: .FALSE.)
GET_IRREDUCIBLE_KPOINTS = .TRUE. # .TRUE. or .FALSE.; Control whether to generate k-points in the symmetry-irreducible wedge of the Brillouin Zone (default: .TRUE.)
FACTOR_ENCUT2NPWS = 0.262465831d0 # Adjust the final decimal place (or one beyond that) of this parameter if you encounter an error message saying that “Error: the calculated NPWS is not equal to the read NPWS”.
SYMMETRY_TOLERANCE = 1E-5 # Tolerance in Cartesian coordinates to find crystal symmetry, compatibility with SYMPREC (default: 1E-5)
LATTICE_TOLERANCE = 0.2 # Float lattice tolerance for the lattice vectors (default: 0.2 angstrom)
ANGLE_TOLERANCE = 0.2 # Float angle tolerance for the lattice vectors in degrees (default: 0.2 degree)
EMIN = -20.0 # Minimum energy for evaluation of DOS (default: -20.0 eV)
EMAX = 20.0 # Maximum energy for evaluation of DOS (default: 20.0 eV)
SIGMA = 0.2 # The width of the smearing to calculate DOS from eigenvalue (default: 0.2 eV)
NEDOS = 2001 # Number of grid points in DOS (default: 2001)
GAMMA_CENTERED = .TRUE. # .TRUE. or .FALSE. (default: .TRUE.).
VACUUM_THICKNESS = 15.0 # The thickness of vacuum to build slab or 2D materials (default: 10 angstrom)
CENTER_SLAB = .TRUE. # Center the slab in the z direction; (default: .TRUE.)
# New added in Version 1.3.0
MAX_ATOM_NUMBER = 10000 # The maximum number of atoms to screen heterostructures (default: 10000)
MIN_ATOM_NUMBER = 1 # The minimum number of atoms to screen heterostructures (default: 1)
MIN_LATTICE_ANGLE = 0.0 # The minimum lattice angle to screen heterostructures (default: 0.0)
MAX_LATTICE_ANGLE = 180.0 # The maximum lattice angle to screen heterostructures (default: 180.0)
GET_INTERPOLATED_DATA = .FALSE. # .TRUE. or .FALSE.; Whether to interpolate the grid data of charge/spin density, potential, band structure, etc. (default: .FALSE.)
INTERPOLATION_SPACING = 0.04 # Determines the number of interpolation grids, in unit of A in real-space or 1/A in reciprocal space (default: 0.04)
INTERPOLATION_METHOD = 'cubic' # 'linear', 'cubic' (3rd order-spline interpolation), quartic (4th order-spline interpolation), or FFT available only for 2D and 3D grids (default method: 'cubic')
AUTO_SUBMIT_JOB = .FALSE. # .TRUE. or .FALSE. (default: .FASLE.). Whether to auto-submit vaspkit or vasp job or not.
SUBMIT_JOB_COMMAND = 'qsub job.sh' # The command line to submit job
AUTO_PLOT = .TRUE. # TRUE. or .FALSE. (default: .FASLE.). Whether to auto-plot data graphs in the post-processing.
# New added in Version 1.4.1
REDUCE_FERMISURFACE_FILE = .FALSE. # TRUE. or .FALSE. (default: .FASLE.). Whether to write only the bands which cross the Fermi energy.
WEIGHT_THRESHOLD = 0.00 # Threshold value of spectra weight in the band structure unfolding.
# New added in Version 1.5.0
CENTER_DEFECT_POSITION = .TRUE. # Move the position of defect to the center of the supercell; (default value: .TRUE.)
VACUUM_THICKNES = 10 # Vacuum thickness (default value: 10 Angstrom).
UNWRAP_TRAJECTORIES = .TRUE. # Unwrap MD trajectories or not; (default value: .TRUE.)
#USER_DEFINED
#Synopsis:The first parameter is the command-id,starting with 'u'; the second is the interpreter, like 'python/bash/perl'(Please left it blank if you are using an executive binary); the third is the name of a script or an executive binary; the fourth one is a switch, if any extra argv is needed, please set if .TRUE. ; the last on is the description, MUST use '_' as delimiter.
# id interpreter script argv description
#Example1 'u1 python get_entropy.py .TRUE. get_entropy'
#Example2 'u2 hello.exe .FALSE. ls '
u1 python get_entropy.py .TRUE. get_entropy_for_adsorbate
u2 python bader2pqr.py .FALSE. bader2pqr
#END_USER_DEFINED
#+------------------------------------------------------------------------------------------------------------------+
#| Customize VASP job script |
#| Must copy the block from #BEGIN_CUSTOMIZE_JOB_SCRIPT to #END_CUSTOMIZE_JOB_SCRIPT |
#+------------------------------------------------------------------------------------------------------------------+
#BEGIN_CUSTOMIZE_JOB_SCRIPT
#PBS -N name
#PBS -o out
#PBS -e err
#PBS -l nodes=2:ppn=4
#PBS -r y
cd $PBS_O_WORKDIR
mpirun -np 8 vasp_std > vasp-out
#END_CUSTOMIZE_JOB_SCRIPT
#+------------------------------------------------------------------------------------------------------------------+
#BEGIN_CUSTOMIZE_PLOT
#+------------------------------------------------------------------------------------------------------------------+
#| WARNNING! The character-type values of plot variables are case sensitive and must be enclosed in single quotes. |
#+------------------------------------------------------------------------------------------------------------------+
# https://matplotlib.org/3.3.3/tutorials/introductory/customizing.html
# https://matplotlib.org/tutorials/text/text_props.html
# https://github.com/rougier/matplotlib-cheatsheet
# Advanced Features of VASPKIT Pro version
figure_format = 'pdf' # string type (default: 'jpg'). Options: 'png', 'pdf', 'eps', 'jpg', etc.
figure_height = 4.0 # float type (default: 4.0). The height of the figure.
figure_width = 5.0 # float type (default: 5.0). The width of the figure.
dpi = 400 # integer type (default: 400). The resolution of the figure in dots-per-inch.
set_tight_layout = .FALSE. # .TRUE. or .FALSE (default: .FALSE.). Automatically adjust the padding between and around subplots.
# Global settings =
figure_style = 'default' # string type (default: 'default'). Options: 'default', 'classic', 'grayscale', 'seaborn', 'bmh', 'seaborn-notebook', etc.
font_family = 'arial' # string type (default: 'arial'). Options: 'fantasy','arial','sans-serif', 'monospace', 'cursive', 'serif', etc.
global_fontsize = 12.0 # float type (default: 15.0).
label_fontsize = 12.0 # float type (default: 15.0).
number_format = '%.3f' # string type (default: 15.0).
# Legend-related settings =
show_legend = .TRUE. # .TRUE. or .FALSE (default: .TRUE.).
legend_location = 'best' # string type (default: 'best'). Options: 'best', 'upper right', 'upper left', 'lower left', 'lower right', 'right', 'center left', 'center right', 'lower center', 'upper center', 'center', etc.
legend_fontsize = 12.0 # float type (default: 14.0).
=
# Line-related settings =
line_colors = ['b', 'g', 'r', 'm'] # string type (default: 'blue'). Options: 'red', 'green', 'cyan', '#4c005c', etc.
line_styles = ['-', '-', '-', '-'] # string type (default: '-'). Options: '-' or solid, '--' or 'dashed', '-.' or 'dashdot', etc.
line_widths = [1.5, 1.5, 1.5] # float type (default: 1.5).
line_alpha = [1.0, 1.0, 1.0] # float type (default: 1.0). 0.0< alpha <=1.0, adjust the transparency of each line (by default, alpha=1.0)
fill_areas = .FALSE. # .TRUE. or .FALSE (default: .FLASE.). Fill the area between two horizontal curves.
# Marker-related settings =
#marker_colors = ['blue', 'cyan', 'red', 'magenta', 'orange', 'lawngreen', 'deeppink', 'brown', 'dodgerblue']
marker_symbols = ['o','o','o'] # string type (default: 'o'). Options: 'o': Circle, 'x': Cross, '+': Plus sign, 'D': Filled diamond, 's': Square, '^': Triangle, etc.
marker_colors = ['#0db14b', '#4c005c', '#d93b2b','#0075dc', '#740aff', '#993f00', '#4c005c', '#426600']
marker_sizes = [60, 60.0, 60.0] # float type (default: 10.0).
marker_scale = 1.0 # float type (default: 1.0). marker_sizes = marker_sizes * marker_scale
marker_alpha = [0.8, 0.7, 0.6, 0.5, 0.4] # float type (default: 1.0). 0.0< alpha <=1.0), adjust the transparency of markers (by default, alpha=1.0)
# Tick-related settings =
#x_label = 'Wave vector' # string type (No default value).
#y_label = 'Energy (eV)' # string type (No default value).
#z_label = 'k$_x$ ($\\mathrm{\\AA}$)' # string type (No default value).
#x_limits = [-8.0, 8.0] # float type [xmin, xmax] (No default value).
#y_limits = [-8.0, 8.0] # float type [ymin, ymax] (No default value).
#z_limits = [-8.0, 8.0] # float type [zmin, zmax] (No default value).
#x_major_locator = 2.0 # float type (No default value).
#y_major_locator = 2.0 # float type (No default value).
#z_major_locator = 2.0 # float type (No default value).
#x_minor_locator = 1.0 # float type (No default value).
#y_minor_locator = 1.0 # float type (No default value).
#z_minor_locator = 1.0 # float type (No default value).
# contour-related settings
colormap = 'RdBu' # string typ (default: 'jet'). Options: 'jet', 'hsv', 'viridis', 'gray', etc.
contour_levels = 5 # integer type (default: 5).
contour_limits = [0.0, 0.5] # float type (No default value).
display_colorbar = .FLASE. # .TRUE. or .FALSE (default: .FLASE.).
display_level_value = .FLASE. # .TRUE. or .FALSE (default: .FLASE.).
display_contour = .FLASE. # .TRUE. or .FALSE (default: .FLASE.).
colorbar_shrink = 0.5 # float type (default: 0.4).
colorbar_orientation = 'vertical' # 'horizontal' or 'vertical' (default: 'horizontal')
# 3D-plot related settings
elevation = 12.0 # float type (default: 12).
azimuth = 24.0 # float type (default: 23).
display_coordinate_axes = .TRUE. # .TRUE. or .FALSE (default: .TRUE.).
display_brillouin_zone = .TRUE. # .TRUE. or .FALSE (default: .TRUE.).
axis_length = [1.0, 1.0, 1.0] # Determine the length of each axis
box_linewidth = 1.0 # Specify the transparency level for the lines of the box or Brillouin zone
box_linealpha = 1.0 # Evaluate the line width of the box or Brillouin zone
# XKCD sketch-style related settings
xkcd_style = .FALSE. # .TRUE. or .FALSE (default: .FLASE.). Turn on xkcd sketch-style drawing mode or not.
xkcd_scale = 1 # float type (default: 1.0). The amplitude of the wiggle perpendicular to the source line (default: 1).
xkcd_length = 100 # float type (default: 100.0). The length of the wiggle along the line (default: 100).
xkcd_randomness = 2 # float type (default: 2.0). The scale factor by which the length is shrunken or expanded (default: 2).
# band structure related settings
disconnecte_band_paths = .TRUE. # .TRUE. or .FALSE (default: .TRUE.). Turn on disconnected band paths drawing mode or not.
#END_CUSTOMIZE_PLOT

2
devices/jykang.xmuhpc/linwei/chn/software/hpcstat/bin/bsub Executable file
View File

@ -0,0 +1,2 @@
#!/usr/bin/env sh
hpcstat submitjob "$@"

12
devices/wlin.xmuhpc/.bash_profile Normal file
View File

@ -0,0 +1,12 @@
# .bash_profile
# Get the aliases and functions
if [ -f ~/.bashrc ]; then
. ~/.bashrc
fi
# User specific environment and startup programs
PATH=$PATH:$HOME/bin
export PATH

43
devices/wlin.xmuhpc/.bashrc Normal file
View File

@ -0,0 +1,43 @@
# .bashrc
# Source global definitions
if [ -f /etc/bashrc ]; then
. /etc/bashrc
fi
export PATH=$PATH:/data/gpfs01/wlin/bin
# User specific aliases and functions
export PATH=/data/gpfs01/wlin/bin/vaspkit.1.4.1/bin:${PATH}
#export PATH=~/bin:/data/gpfs01/wlin/opt/mpich_ifort/bin:$PATH
#export LD_LIBRARY_PATH=/data/gpfs01/wlin/opt/mpich_ifort/lib:$LD_LIBRARY_PATH
#export PATH=~/bin:/data/gpfs01/wlin/opt/mpich/bin:$PATH
#export LD_LIBRARY_PATH=/data/gpfs01/wlin/opt/mpich/lib:$LD_LIBRARY_PATH
export P4_RSHCOMMAND=ssh
shopt -s cdspell
export HISTCONTROL=ignoredups
#shopt -s histappend
PROMPT_COMMAND='history -a'
export C3_RSH="ssh -x"
export OMP_NUM_THREADS=1
export MKL_NUM_THREADS=1
alias grep='grep --color'
USER_IP=`who -u am i 2>/dev/null| awk '{print $NF}'|sed -e 's/[()]//g'`
export HISTTIMEFORMAT="%Y-%m-%d %H:%M:%S `whoami`@${USER_IP}: "
export HISTFILESIZE=1000000
export PROMPT_COMMAND="history -a; history -r; $PROMPT_COMMAND"
shopt -s histappend
# Auto add env parameter $PROMPT_COMMAND when use non-Linux tty login by ssh.
if [ "$SSH_CONNECTION" != '' -a "$TERM" != 'linux' ]; then
declare -a HOSTIP
HOSTIP=`echo $SSH_CONNECTION |awk '{print $3}'`
export PROMPT_COMMAND='echo -ne "\033]0;${USER}@$HOSTIP:[${HOSTNAME%%.*}]:${PWD/#$HOME/~} \007"'
fi
ulimit -s unlimited
export PYTHONPATH=/data/gpfs01/wlin/bin/VaspBandUnfolding-master:${PYTHONPATH}
# vsts, see https://theory.cm.utexas.edu/vtsttools/scripts.html
export PATH=$PATH:/data/gpfs01/wlin/yjj/vtstscripts-1022
export PERL5LIB=/data/gpfs01/wlin/yjj/vtstscripts-1022

17
flake.lock
View File

@ -2244,7 +2244,6 @@
"tgbot-cpp": "tgbot-cpp",
"v-sim": "v-sim",
"win11os-kde": "win11os-kde",
"xmuhpc-dotfiles": "xmuhpc-dotfiles",
"zpp-bits": "zpp-bits",
"zxorm": "zxorm"
}
@ -2755,22 +2754,6 @@
"type": "github"
}
},
"xmuhpc-dotfiles": {
"flake": false,
"locked": {
"lastModified": 1715006235,
"narHash": "sha256-ZgjVSzGlOaM5GH5Wt8PP12BmyMQpSegyxHvefAAFbI4=",
"ref": "refs/heads/main",
"rev": "87fded8f4b68dd4fca5c1ea2959fbc54961cbc99",
"revCount": 10,
"type": "git",
"url": "https://git.chn.moe/chn/xmuhpc-dotfiles.git"
},
"original": {
"type": "git",
"url": "https://git.chn.moe/chn/xmuhpc-dotfiles.git"
}
},
"yafas": {
"inputs": {
"flake-schemas": [

1
flake.nix
View File

@ -79,7 +79,6 @@
kylin-virtual-keyboard = { url = "git+https://gitee.com/openkylin/kylin-virtual-keyboard.git"; flake = false; };
cjktty = { url = "github:zhmars/cjktty-patches"; flake = false; };
zxorm = { url = "github:CHN-beta/zxorm"; flake = false; };
xmuhpc-dotfiles = { url = "git+https://git.chn.moe/chn/xmuhpc-dotfiles.git"; flake = false; };
openxlsx = { url = "github:troldal/OpenXLSX"; flake = false; };
sqlite-orm = { url = "github:fnc12/sqlite_orm"; flake = false; };
};

2
modules/services/hpcstat.nix
View File

@ -24,7 +24,7 @@ inputs:
ssh = "${inputs.pkgs.openssh}/bin/ssh -i ${key} -o StrictHostKeyChecking=no"
+ " -o ForwardAgent=yes -o AddKeysToAgent=yes";
key = inputs.config.sops.secrets."hpcstat/key".path;
jykang = "${inputs.topInputs.xmuhpc-dotfiles}/jykang";
jykang = "${inputs.topInputs.self}/devices/jykang.xmuhpc";
ssh-agent = "${inputs.pkgs.openssh}/bin/ssh-agent";
in
''