Jenny Coulter
Jenny Coulter
Hi @Yuanwz00, Thanks very much for reporting this. I actually think I know exactly the cause of this, and can likely fix it in just a few minutes. Would you...
Hi @Yuanwz00 -- Thanks for sending over the files, indeed, I know how to fix the problem, so it's very quick -- it appears we introduced an error in which...
Hi @Yuanwz00 -- I've pushed a fix to this, would you mind checking it on your phonopy files? Alternatively, you can send them to me and I can check those...
Ah, I apologize -- there's one extra step I needed to include, because we very recently (yesterday) switched to use kokkos-kernels to further accelerate electron-phonon calculations. You can fix this...
Hi @Yuanwz00, I actually have to apologize a second time - the kokkos-kernels addition does make things slightly more complicated on the rebuild, and I sent you the instructions too...
Hi @xtutzy, Thanks for your interest in using Phoebe! I think it sounds like there's a few things could be wrong here, let's see if I can help you figure...
Hi @xtutzy, As you can see, CMake cannot find the required MPI dependency, ` Could NOT find MPI (missing: MPI_Fortran_FOUND) (found version "3.1")` To build Phoebe, you'll need at the...
Hi Tang, Can you try deactivating the conda environment, and using the regular system copies of things? This is the standard way to build codes. Make sure you delete everything...
Unless someone reports another case of this, I'm closing the issue for now. Thanks!
Just leaving a note here for anyone in the wondering about this feature -- for now, we must wait for elph matrix elements in VASP to become available.