Hi,
On Wed, Feb 7, 2018 at 3:43 AM, Tasneem Kausar
<tasneemkausar12.gmail.com> wrote:
>
> for MPI support I have installed mpich-3.1.4 and fftw-3.3.7
> mpicpi-3.14 is installed in /home/myname/amber16/mpich-install directory
> and fftw-3.3.7 is installed in /home/myname/amber16/mpich-install
> directory
>
> /home/apps/ics/impi/4.1.3.049/intel64/lib/libmpigf.so: undefined reference
> to `MPID_b_use_gettimeofday'
You say you've installed mpich 3.1.4, but the error message indicates
you're pulling in a library from Intel MPI, which indicates your
environment is not correctly set up. If you don't have a lot of
experience with that I'd recommend that you install mpich by
downloading and unpacking the source code in $AMBERHOME/AmberTools/src
and running 'configure_mpich' there, then run $AMBERHOME/configure as
usual and use the fftw that Amber builds. Don't forget to source
$AMBERHOME/amber.sh before doing 'make install'.
Hope this helps,
-Dan
--
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
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Received on Thu Feb 08 2018 - 04:30:01 PST
