console

# for auto.py read
# the following are parameters often need to change
# adjusted for jn
StartfromVASP 0         
Nbad   200

cpupernode 16
%block cpuperjob
SSW  1
VASP 1
NN   0
%endblock cpuperjob

%block prog
SSW  /es01/home/caoxiaoming/apps/lasp/INTER_pro3.3.4_inte12_2cw/Src/lasp
VASP  /es01/home/caoxiaoming/apps/lasp/INTER_pro3.3.4_inte12_2cw/Src/lasp
VASPgamma  /es01/home/caoxiaoming/apps/lasp/INTER_pro3.3.4_inte12_2cw/Src/lasp
NN  /es01/home/caoxiaoming/apps/lasp/INTER_pro3.3.4_inte12_2cw/Src/lasp
%endblock prog

#$%block base
#O    0.0
#Pd   0.0
#Au   0.0
#%endblock base



# the following are less important
maxF   500
SSWcheckcycle 600
maxSSWtime 3000
cyclecontrol  100
maxVASPtime 25000
maxtimeperVASP 7200000
Allstr 1
NNepoch  1000

%block NNstd
maxE   50
maxF    1
rmsE    5.5
rmsF    0.05
%endblock NNstd

#start settings
masternode  1
maxSSWpara  50