On 2019-09-23 13:47, Hai Nguyen wrote:
> On Mon, Sep 23, 2019 at 4:19 PM David Mathog <mathog.caltech.edu>
> wrote:
>
>> Greetings.
>>
>> Just installed AmberTools which ended up in a directory amber18. We
>> do
>> not at this time have a license for Amber 18. Did this:
>>
>>
>> TOPDIR=/usr/common/modules/el7/x86_64/software/amber/19-CentOS-vanilla
>> mkdir -p $TOPDIR
>> export PATH=/opt/ompi401/bin:$PATH #or it cannot figure out which
>> mpi, fails in fftw
>> ./configure --python-install local -mpi --with-python
>> /usr/bin/python
>> --prefix $TOPDIR gnu
>>
>
> Please try again without the `--prefix` option. It might not setup
> properly
> for testing cpptraj.
Adding netcdf made no difference, removing --prefix let the test work:
1016 file comparisons passed
0 file comparisons failed (0 ignored)
1 tests experienced errors
Guess I'll just put a link in from where it was supposed to be
installed. Not a problem in this case as they are on the same file
system.
Thanks,
David Mathog
mathog.caltech.edu
Manager, Sequence Analysis Facility, Biology Division, Caltech
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Received on Mon Sep 23 2019 - 17:00:01 PDT
