Hello,
On Mon, Mar 15, 2021 at 1:31 AM David A Case <david.case.rutgers.edu> wrote:
>
>
> Perhaps related: is anyone ever seeing failures to build pytraj with CMake?
> This could be related to some oddity on my machine. It happens to be the
> only machine a regularly build Amber on that has Gaussian installed. So if
> anyone on the list builds Amber on a machine with Gaussian, it might help
> to see if pytraj built OK on your box.
>
>
>From https://gitlab.ambermd.org/amber/amber/-/wikis/Singularity-reports, I
have the following error on all my containers:
"""
cd pytraj && make
make[3]: Entering directory
'/scratch/fzh45/amber-dev/nvidia-10.1-ubuntu-18.04/amber20/AmberTools/test/pytraj'
Testing pytraj MPI
/usr/local/miniconda3/bin/python test_mpi.py
Traceback (most recent call last):
File "test_mpi.py", line 1, in <module>
import pytraj as pt
ModuleNotFoundError: No module named 'pytraj'
test.pytraj: Program error
"""
But the build (with cmake configuration) seems OK.
Gerald.
> ...thx...dac
>
>
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Received on Mon Mar 15 2021 - 06:00:05 PDT
