Re: [AMBER-Developers] Third (and last?!?) release candidate for AmberTools17

From: Hai Nguyen <nhai.qn.gmail.com>
Date: Thu, 13 Apr 2017 20:43:19 -0400

I sent previous email with few MB log files so my email did not go through.
Resend with log links:

Hai

On Thu, Apr 13, 2017 at 12:58 PM, David Case <david.case.rutgers.edu> wrote:

>
>
> Hai: can you point developers to binary distributions made from the latest
> amber17-with-patches branch?
>

Hi all, please see the ambertools binary rc-3 here:

http://ambermd.org/downloads/ambertools-rc/non-conda/rc-3/
linux-64.ambertools-17.0-0.13Apr17.tar.bz2

How to run tests: Given that you have master branch in $HOME/amber_git/amber

mkdir $HOME/test
cd $HOME/test
wget http://ambermd.org/downloads/ambertools-rc/non-conda/rc-3/linux-64.
ambertools-17.0-0.13Apr17.tar.bz2
tar -xf llinux-64.ambertools-17.0-0.13Apr17.tar.bz2
source amber17/amber.sh

# AT binara distribution does not include test folders, so we use source
code to create symlink for testing.
amber.setup_test_folders ~/amber_git/amber

cd $AMBERHOME
make test

.Dave: I am running tests for this binary but getting error with rism
(compiled with gcc 4.8.2, linux, centos 5, tested on casegroup).

libsff.a(amber_rism_interface.NAB.o): In function
`rism_writevolumetricdata_':

amber_rism_interface.F90:(.text+0xcc5): undefined reference to
`_gfortran_transfer_integer_write'

...


(unfinished) test.log and build.log:


https://raw.githubusercontent.com/hainm/tmp/master/rc-17/test.log

https://raw.githubusercontent.com/hainm/tmp/master/rc-17/build.log


Hai
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Received on Thu Apr 13 2017 - 18:00:03 PDT
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