Trouble converting my OUTCAR to deepmd/npy (example/data_conv OUTCAR works)

[kyladevilla]

Hello,
I recently upgraded to DeePMD v2.2.0.
When converting the sample OUTCAR (~/deepmd-kit-2.2.0/examples/data_conv/OUTCAR) to deepmd_data format I have no issues. I'm using the script given in the manual:

However, when trying to convert my own OUTCAR files, I am met with the following error:

I have tried:
OUTCARs of 2 or 3 elements. --> no change
OUTCARs with only 1 ionic step --> no change
adding "fmt="vasp/outcar" to end of first line --> no change

I am not sure what is different in my OUTCAR files that is causing this issue. The version of VASP used is the same (vasp.5.4.4.18Apr17).
OUTCAR.zip

I've attached an example OUTCAR file that will not work for me, I would appreciate any advice.

[wanghan-iapcm]

This should be a issue of dpdata. Which version are you using?

[kyladevilla]

Thanks for the help. I am using dpdata v0.2.14

[kyladevilla]

If it helps, I went into /deepmd/lib/python3.10/site-packages/dpdata/utils.py and recorded some print statements.
"atom_names" is empty, but "atom_types" is not:

[kyladevilla]

If I go into /deepmd/lib/python3.10/site-packages/dpdata/utils.py and manually define "atom_names" the code works fine and I get the deepmd_data folder. I'm just not sure where the error is in filling in the "atom_names".

[wanghan-iapcm]

The section of information of POTCAR is missing in our OUTCAR. By default it should be printed.
An example of the section is the following

   VRHFIN =Al: s2p1                                                             
   LEXCH  = PE                                                                  
   EATOM  =    53.5387 eV,    3.9350 Ry                                         
                                                                                
   TITEL  = PAW_PBE Al 04Jan2001                                                
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =    1.500    partial core radius                                     
   POMASS =   26.982; ZVAL   =    3.000    mass and valenz                      
   RCORE  =    1.900    outmost cutoff radius                                   
   RWIGS  =    2.650; RWIGS  =    1.402    wigner-seitz radius (au A)           
   ENMAX  =  240.300; ENMIN  =  180.225 eV                                      
   ICORE  =        2    local potential                                         
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  291.052                                                            
   DEXC   =    -.041                                                            
   RMAX   =    2.974    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    1.966    radius for radial grids                                 
   QCUT   =   -4.203; QGAM   =    8.405    optimization parameters              

[kyladevilla]

Adding that part from the POTCAR files to the top of my OUTCAR fixed the problem! Thank you so much for helping me with this!