Question 1:
Just installed AMBER 16 using:
./configure gnu
Serial installation went fine. The Test went fine except it failed for
cases in:
U:\home\amber16\AmberTools\src\FEW\examples\test\gauss\L51a
U:\home\amber16\AmberTools\src\FEW\examples\test\leap\L51a
U:\home\amber16\AmberTools\src\FEW\examples\test\MD_resp\L51a
Failure was in that order. I assume this is not an issue since I do not
have Gaussian installed so the associated QM and other calculations could
not be performed.
Question 2:
I then did
make clean
./configure -mpi gnu
After making sure the openmpi 10 ldlibrary and path were properly included.
Everything went fine except I was given a warning about the absence of
parallel NetCDF. I searched the AMBER 16 distribution but could find no
trace of pnetcdf. Do I need to install this separately?
Thanks.
Jim Kress
James Kress Ph.D., President
The KressWorksR Institute
An IRS Approved 501 (c)(3) Charitable, Nonprofit Corporation
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Received on Sun Dec 11 2016 - 13:30:02 PST
