On Sat, Jan 28, 2023, ABDELATIF MESSAOUDI via AMBER wrote:
>Dear AMBER users,
I'm not sure if you are really getting emails from this list, or from me.
I've answered these before, but others may want to chime in here:
>~/amber22_src/AmberTools/src# ./configure_mpich gnu
>configure: error: The Fortran compiler gfortran will not compile files that
>call the same routine with arguments of different types.
This is an mpich problem. Some information is here:
https://github.com/pmodels/mpich/issues/5811
The easiest workaround is to use your package manager to install mpich; you
don't say what OS you are using, but instructions for many common variants
are here:
https://ambermd.org/Installation.php
More complex would be to downgrade the gfortran compiler to version 8 or so;
or to learn how to get environment flags into the mpich configure step.
>-- Could NOT find CUDA (missing: CUDA_INCLUDE_DIRS CUDA_CUDART_LIBRARY)
>(found version "9.1")
>
>CMake Error at cmake/CudaConfig.cmake:15 (message):
>You turned on CUDA, but it was not found. Please set the
>CUDA_TOOLKIT_ROOT_DIR option to your CUDA install directory.
You cuda install directory needs to be found (by you). It is most often
at /usr/local/cuda or /usr/lib/cuda (or places like that).
Easiest thing to set the CUDA_HOME environment variable:
explore CUDA_HOME=/usr/local/cuda # or whatever the correct location is.
You can also set CUDA_TOOLKIT_ROOT_DIR in your run_cmake script.
...good luck...dac
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Received on Mon Jan 30 2023 - 19:00:05 PST
