I had this sort of errors with the flang-based compilers, maybe the new
Intel ifx could also cause this ?
On 3/25/24 11:05, Paolo Giannozzi wrote:
I am afraid (for you) that the origin of your problem is in your
compiler. There is nothing wrong in your xml file: it looks exactly
like the one
I am afraid (for you) that the origin of your problem is in your
compiler. There is nothing wrong in your xml file: it looks exactly like
the one that I generate and subsequently read
Paolo
On 3/25/24 09:33, Максим Кузнецов wrote:
25.03.2024, 11:02, "Paolo Giannozzi" :
I don't see how wha
I don't see how what you describe may happen, unless:
- you are reading data files produced by earlier code versions, or
- you are using some exotic, little-tested option.
Please provide the input data and maybe also the xml data produced in
the scf run
Paolo
On 3/24/24 19:30, Максим Кузнецов
Dear users, I encountered the following problem:sсf calculation works correctly, but when I try to run nscf calculation I get the following error: Atomic positions and unit cell read from directory: ./out/KFeS2.save/ Message from routine qes_read:symmetriesType: error reading nsym %%
