On Sun, Feb 06, 2022, Suguna Sakkiah wrote:
>Step 5: change to the $AMBERHOME/test and run ./test_amber_cuda_serial.sh
This is going "underneath the hood", in ways we haven't tested. Try the
following, which is in item 5 in Section 2.1:
cd $AMBERHOME
make test.cuda.serial
This *may* lead to a different result, or may not.
The "cannot import python modules" error is coming from a script that is
trying to import parmed; but your test indiates that you are not having any
problems with this from the command line. So I'm puzzled.
I'm hoping someone else on the list will recognize the problem. I've asked
one of our troubleshooters to look at this as well.
....dac
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Received on Sun Feb 06 2022 - 09:30:02 PST
