# Asked to delete not existent file: \<filename\>.abo\_PRT1

**URL:** <https://discourse.abinit.org/t/asked-to-delete-not-existent-file-filename-abo-prt1/2973>\
**Category:** Response calculations\
**Created:** [August 27, 2021, 1:41pm UTC](https://discourse.abinit.org/t/asked-to-delete-not-existent-file-filename-abo-prt1/2973 "2021-08-27T13:41:07Z")\
**Posts on this page:** 4\
**Page:** 1

<div class="post-metadata">

**Author:** ![mjocic](https://discourse.abinit.org/letter_avatar_proxy/v4/letter/m/b19c9b/32.png) [@mjocic](https://discourse.abinit.org/u/mjocic)\
**Post date:** [August 27, 2021, 1:41pm UTC](https://discourse.abinit.org/t/asked-to-delete-not-existent-file-filename-abo-prt1/2973/1 "2021-08-27T13:41:07Z")

</div>

Hello,

I keep getting this annoying message during RF run (abinit 9.2.2). Sometimes the code gets past this part and others the reserved time on my cluster runs out for some reason?

```auto
Asked to delete not existent file: <filename>.abo_PRT1
Asked to delete not existent file: <filename>.abo_PRT2
Asked to delete not existent file: <filename>.abo_PRT3
and so on...

```

I was doing RF calculations with 4x4x4 k-grid (SOC included: nspinor=2 nspinden=1 nsppol=1), this wasn’t an issue, but when I try with a 8x8x8 k-grid that message either stops or prolongs the calculation.

I couldn’t find this related topic anywhere else, so I’m sorry in advance if there already is a solution to this issue.

Kind regards,  
Milan Jocic

---

<div class="post-metadata">

**Author:** ![mverstra](https://discourse.abinit.org/user_avatar/discourse.abinit.org/mverstra/32/92_2.png) [@mverstra](https://discourse.abinit.org/u/mverstra)\
**Post date:** [August 27, 2021, 2:19pm UTC](https://discourse.abinit.org/t/asked-to-delete-not-existent-file-filename-abo-prt1/2973/2 "2021-08-27T14:19:57Z")

</div>

> [@mjocic](#):
>
> `abo_PRT`

Hi mjocic,

we need a bit more information, on your input file and what you want to do in the perturbations. FYI if you set nspinor 1 the SOC can not be applied.

The files it complains about are log files for multiple perturbation parallelization. This may also not be what you intended to do: it’s more efficient to run 1 perturbation at a time and parallelize over k bands etc.

Have a look at the abipy tutorials as well (it does all this automatically). At any rate this is not the actual problem, but may be a clue.

---

<div class="post-metadata">

**Author:** ![mjocic](https://discourse.abinit.org/letter_avatar_proxy/v4/letter/m/b19c9b/32.png) [@mjocic](https://discourse.abinit.org/u/mjocic)\
**Post date:** [August 28, 2021, 11:26am UTC](https://discourse.abinit.org/t/asked-to-delete-not-existent-file-filename-abo-prt1/2973/3 "2021-08-28T11:26:08Z")

</div>

Hello,

Sorry, I mistyped for SOC, I use nspinor=2.

I use one q-point per process:  
These are the options I use to run the code when q!=[0 0 0]:

```auto
# PARALLEL OPTIONS
# paral_rf 1
# paral_kgb 1
   timopt -3
# NUMBER OF DATASETS
   ndtset 3
# Set 1: ground state self-consistency
   getwfk1 0 # Cancel default
   kptopt1 1 # Auto gen using symmetry (1-all 2-just time 3-NONE)
     nqpt1 0 # Cancel default
   tolvrs1 ${TOLVRSGS} # SCF stopping criterion (modify default)
   rfphon1 0 # Cancel default
  
  paral_kgb1 1 # PARALLEL OPTION
  autoparal1 1 # PARALLEL OPTION

  paral_rf3 1 # PARALLEL OPTION
  autoparal3 1 # PARALLEL OPTION
# Set 2: non self-consistent calculation
   getden2 1
     iscf2 -2
     nqpt2 1 
   nbdbuf2 4
   tolwfr2 ${TOLWFR}
     kptopt2 3
   
   paral_kgb2 1 # PARALLEL OPTION
   autoparal2 1 # PARALLEL OPTION

## COMMON VARIABLES
   getwfk 1 # Use GS wave functions from dataset1
     nqpt 1 # number of q points=1 per job/nod
      qpt ${q_point}         
                               # qpoint from file QLIST
   kptopt 3 # use no symmetries
   tolvrs ${TOLVRS} # tolerance for Vrs
   rfphon 1 # resp. func. phonon calc
  rfatpol 1 5 # all atoms displacement
    rfdir 1 1 1 # consider all directions

```

and when q==[0 0 0]

```auto
# PARALLEL OPTIONS
# paral_rf 1
# paral_kgb 1
    timopt -3
# NUMBER OF DATASETS
    ndtset 3 
# Set 1: ground state self-consistency
# prtden1 1
   getwfk1 0 # Cancel default
   kptopt1 1 # Auto gen using symmetry (1-all 2-just time 3-NONE)

     nqpt1 0 # 
   tolvrs1 ${TOLVRSGS} # SCF stopping criterion (modify default)
   rfphon1 0 # Cancel default

  paral_kgb1 1 # PARALLEL OPTION
  autoparal1 1 # PARALLEL OPTION
# Set 2: Response function calculation of d/dk wave function
     iscf2 -3 # Need this nscf option for ddk
   kptopt2 2 # Use just time-rev symmetry
   rfphon2 0 # Cancel delault
   rfelfd2 2 # Calculate ddk only
   tolwfr2 ${TOLWFR} # Use wf residual criterion instead
   nbdbuf2 4 # Exclude last few bands from tolwrf test

   paral_rf2 1 # PARALLEL OPTION
   autoparal2 1 # PARALLEL OPTION
# Set 3: Response function calculation of Q=0 phonons and el.field
   getddk3 2 # ddk wave functions from dataset2
   kptopt3 2 # 
   rfelfd3 3 # Electric-field perturbation response only
   tolwfr3 ${TOLWFR}
   nbdbuf3 2
   paral_rf3 1 # PARALLEL OPTION
   autoparal3 1 # PARALLEL OPTION
# COMMON VARIABLES
   getwfk 1 # Use GS wave functions from dataset1
     nqpt 1 # number of q points=1 per job/nod
      qpt ${q_point}         
                               # qpoint from file QLIST
   kptopt 3 # use no symmetries
   tolvrs ${TOLVRS} # tolerance for Vrs
   rfphon 1 # resp. func. phonon calc
  rfatpol 1 5 # all atoms displacement
    rfdir 1 1 1 # consider all directions

```

---

<div class="post-metadata">

**Author:** ![mverstra](https://discourse.abinit.org/user_avatar/discourse.abinit.org/mverstra/32/92_2.png) [@mverstra](https://discourse.abinit.org/u/mverstra)\
**Post date:** [May 16, 2022, 3:44pm UTC](https://discourse.abinit.org/t/asked-to-delete-not-existent-file-filename-abo-prt1/2973/4 "2022-05-16T15:44:43Z")

</div>

Hello again,

The \_PRT file is made to parallelize over perturbations as we mentioned before, to make a separate output and log file for each perturbation. I don’t know why it hangs there, could be an issue with disk IO or some conflict between the MPI communicators for perturbations and kpts. Have you tried without paral\_rf?