Hello all!
I am facing following error while linking ASE with VASP:
“/bin/sh: /opt/software/easybuild/2020/avx2/MPI/intel2020/openmpi4/: Is a directory
Traceback (most recent call last):
File “/scratch/meghaa/test/ase_vasp-nacl.py”, line 16, in
print(NaCl.get_magnetic_moment())
File “/cvmfs/soft.computecanada.ca/easybuild/software/2020/avx2/Core/xtb/6.5.1/lib/python3.10/site-packages/ase/atoms.py”, line 658, in get_magnetic_moment
return self._calc.get_magnetic_moment(self)
File “/cvmfs/soft.computecanada.ca/easybuild/software/2020/avx2/Core/xtb/6.5.1/lib/python3.10/site-packages/ase/calculators/abc.py”, line 41, in get_magnetic_moment
return self.get_property(‘magmom’, atoms)
File “/cvmfs/soft.computecanada.ca/easybuild/software/2020/avx2/Core/xtb/6.5.1/lib/python3.10/site-packages/ase/calculators/calculator.py”, line 737, in get_property
self.calculate(atoms, [name], system_changes)
File “/cvmfs/soft.computecanada.ca/easybuild/software/2020/avx2/Core/xtb/6.5.1/lib/python3.10/site-packages/ase/calculators/vasp/vasp.py”, line 325, in calculate
raise calculator.CalculationFailed(
ase.calculators.calculator.CalculationFailed: vasp in . returned an error: 126”
Any help would be greatly appreciated.