Re: [QE-users] Quantum espresso fails to run with La any psedupotential‏

2024-04-10 Thread Gal Cohen
Hey, thank you but it didn't change anything still gets the same compile failure. Best regards, Gal Cohen. ‫בתאריך יום ד׳, 10 באפר׳ 2024 ב-19:21 מאת ‪Vahid Askarpour‬‏ <‪ vh261...@dal.ca‬‏>:‬ > Any reason why ATOMIC POSITIONS are specified with crystal_b instead of > crystal? > > Cheers, >

Re: [QE-users] Quantum espresso fails to run with La any psedupotential‏

2024-04-10 Thread Vahid Askarpour
Any reason why ATOMIC POSITIONS are specified with crystal_b instead of crystal? Cheers, Vahid On Apr 10, 2024, at 5:47 PM, Gal Cohen wrote: CAUTION: The Sender of this email is not from within Dalhousie. Dear QE users i try to run the scf calculation I provide below the program starts and

[QE-users] Quantum espresso fails to run with La any psedupotential‏

2024-04-10 Thread Gal Cohen
Dear QE users i try to run the scf calculation I provide below the program starts and then fails without outputting error list message aside mpi-abort on terminal. *The last lines in the output file:* Estimated max dynamical RAM per process > 8.68 GB Estimated total dynamical