[ase-users] EOFError: Ran out of input

[Hasan Al-Mahayni]

Hello Everyone,

I am getting the following error :












*Traceback (most recent call last):  File "run.py", line 133, in <module>
  vib.summary(log='vib.txt')  File
"/home/hasan99/.local/lib/python3.7/site-packages/ase/vibrations/vibrations.py",
line 400, in summary    hnu = self.get_energies(method, direction)  File
"/home/hasan99/.local/lib/python3.7/site-packages/ase/vibrations/vibrations.py",
line 364, in get_energies    self.read(method, direction, **kw)  File
"/home/hasan99/.local/lib/python3.7/site-packages/ase/vibrations/vibrations.py",
line 317, in read    fminus = load(name + '-.pckl', combined_data)  File
"/home/hasan99/.local/lib/python3.7/site-packages/ase/vibrations/vibrations.py",
line 293, in load    f = pickleload(fl)EOFError: Ran out of input*

I have never seen this error before, and I have been running vibrational
analysis (deltaG) for 1 month now and never got this error. My code runs
fine and generates all the "vib." files until I get to
"vib.summary(log='vib.txt')". I attached the python script as well as the
submission file. Please let me know if you have any idea!

Thanks,

Hasan Al-Mahayni
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#!/cvmfs/soft.computecanada.ca/nix/var/nix/profiles/16.09/bin/bash

#SBATCH --account=rrg-alsei
#SBATCH --job-name=Ti3_Pt_OCH3_G
#SBATCH --ntasks-per-node=32
#SBATCH --nodes=1
#SBATCH --mem-per-cpu=4000M  # memory; default unit is megabytes
#SBATCH --time=0-01:00           # time (DD-HH:MM)
#SBATCH --mail-user=hasanalmahayni at gmail.com
#SBATCH --mail-type=BEGIN
#SBATCH --mail-type=END
#SBATCH --mail-type=FAIL

module load  nixpkgs/16.09  gcc/5.4.0  openmpi/2.0.2 cp2k/4.1
module load  nixpkgs/16.09  intel/2016.4  openmpi/2.1.1  python/3.7
export ASE_CP2K_COMMAND='srun /cvmfs/soft.computecanada.ca/easybuild/software/2017/sse3/MPI/intel2016.4/openmpi2.1/cp2k/4.1/bin/cp2k_shell.popt'

python run.py > Results
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Unloading StdEnv/2020

Inactive Modules:
  1) ipykernel/2022a     2) libffi/3.3

Due to MODULEPATH changes, the following have been reloaded:
  1) mii/1.1.1

The following have been reloaded with a version change:
  1) gcccore/.9.3.0 => gcccore/.5.4.0
  2) imkl/2020.1.217 => imkl/11.3.4.258
  3) openmpi/4.0.3 => openmpi/2.0.2
  4) python/3.8.2 => python/3.7.4
  5) scipy-stack/2022a => scipy-stack/2019a


Lmod is automatically replacing "gcc/5.4.0" with "intel/2016.4".


Due to MODULEPATH changes, the following have been reloaded:
  1) cp2k/4.1

The following have been reloaded with a version change:
  1) openmpi/2.0.2 => openmpi/2.1.1

Traceback (most recent call last):
  File "run.py", line 133, in <module>
    vib.summary(log='vib.txt')
  File "/home/hasan99/.local/lib/python3.7/site-packages/ase/vibrations/vibrations.py", line 400, in summary
    hnu = self.get_energies(method, direction)
  File "/home/hasan99/.local/lib/python3.7/site-packages/ase/vibrations/vibrations.py", line 364, in get_energies
    self.read(method, direction, **kw)
  File "/home/hasan99/.local/lib/python3.7/site-packages/ase/vibrations/vibrations.py", line 317, in read
    fminus = load(name + '-.pckl', combined_data)
  File "/home/hasan99/.local/lib/python3.7/site-packages/ase/vibrations/vibrations.py", line 293, in load
    f = pickleload(fl)
EOFError: Ran out of input

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