[AMBER] Questions regarding Installation of AMBER 16

From: James Kress <jimkress_58.kressworks.org>
Date: Sun, 11 Dec 2016 16:07:50 -0500

Question 1:


Just installed AMBER 16 using:


./configure gnu


Serial installation went fine. The Test went fine except it failed for
cases in:








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?




Jim Kress


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The KressWorksR Institute

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Received on Sun Dec 11 2016 - 13:30:02 PST
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