Dear David,
Awesome. That worked! Many thanks for your help - I was going around in
circles there...
Best,
mike
-----Original Message-----
From: David A Case [mailto:david.case.rutgers.edu]
Sent: 06 February 2018 18:59
To: AMBER Mailing List <amber.ambermd.org>
Subject: Re: [AMBER] how to run/install leap
On Tue, Feb 06, 2018, Mike Mazanetz wrote:
>
> Here's the output from the command
> (./configure -cuda gnu 2>&1) | tee amber-config_cuda.log
Since tleap is not a cuda program, it won't get made with the above script.
You need to run "./configure gnu" followed by "make install" (if you have
not already done so. Type "which tleap" (or look in $AMBERHOME/bin) to see
which programs have been made.
[Aside: I see that the instructions in the manual ask you to not include any
parallel options on the first run through, but they fail to tell you not to
include any cuda options either..... We'll get that fixed for the next
release.]
....good luck....dac
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Received on Tue Feb 06 2018 - 12:30:02 PST
